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1-methylpiperidine

2D structure
Flow Object IDfo-c0b76f860804bf33
TypeConsensus
prefLabel
Label Language
1-methylpiperidine en
Alt Labels
Label Language Provenance
<em>N</em>-Methylpiperidine en —
Piperidine, 1-methyl- en —
CAS Numbers 626-67-5
EC Numbers 210-959-9
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow06de8d82-070c-448e-ba7d-8f7da85273e2

Properties

Predicate Value
InChIKey AMGAHYUHOCOXTN-UHFFFAOYSA-N, PAMIQIKDUOTOBW-UHFFFAOYSA-N, QDUXDCXILAPLAG-UHFFFAOYSA-N
InChI InChI=1S/C13H23NO6S/c1-13(2,3)20-12(16)14-10(11(15)19-4)9-5-7-21(17,18)8-6-9/h9-10H,5-8H2,1-4H3,(H,14,16), InChI=1S/C6H13N.ClH/c1-7-5-3-2-4-6-7;/h2-6H2,1H3;1H, InChI=1S/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3
IUPAC name 1-methylpiperidine, 2-(1,1-dioxo-4-thianyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid methyl ester, 2-(tert-butoxycarbonylamino)-2-(1,1-diketothian-4-yl)acetic acid methyl ester, hydron;1-methylpiperidine;chloride, methyl 2-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate, methyl 2-(tert-butoxycarbonylamino)-2-(1,1-dioxothian-4-yl)acetate, methyl 2-[1,1-bis(oxidanylidene)thian-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate
Molecular formula C13H23NO6S, C6H13N, C6H14ClN
Molecular mass 321.395
Monoisotopic mass 321.124608
SMILES CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)OC, CN1CCCCC1, COC(=O)C(NC(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1, [H+].CN1CCCCC1.[Cl-]

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
962e0c07… EF 3.1 kg Environmental → Air → Aircraft cruise height 2 2
4cb7445d… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
06de8d82… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 2 2
4fd9bdd8… EF 3.1 kg Environmental → Air → High stack, >150 meters 2 2
26446cea… EF 3.1 kg Environmental → Air → Unknown 2 2
8b76230f… EF 3.1 kg Environmental → Air → Unknown 2 2
1421e519… EF 3.1 kg Environmental → Ground → Agricultural 2 2
0eead165… EF 3.1 kg Environmental → Ground → Unknown 2 2
41d8867b… EF 3.1 kg Environmental → Water → Ocean 2 2
1c123042… EF 3.1 kg Environmental → Water → Surface water 2 2
6010a7ad… EF 3.1 kg Environmental → Water → Unknown 2 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
06de8d82… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
06de8d82… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
0eead165… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
0eead165… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
1421e519… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
1421e519… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
1c123042… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
1c123042… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
26446cea… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
26446cea… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
41d8867b… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
41d8867b… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
4cb7445d… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
4cb7445d… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
4fd9bdd8… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
4fd9bdd8… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
6010a7ad… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
6010a7ad… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
715363ad… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
715363ad… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
8b76230f… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
8b76230f… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
962e0c07… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
962e0c07… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}
969f7f50… altLabel — [{"@value":"<em>N</em>-Methylpiperidine","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Piperidine, 1-methyl-","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:626-67-5","https://commonchemistry.cas.org/detail?cas_rn=626-67-5"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=626-67-5; added Common Chemistry CAS names as altLabel: <em>N</em>-Methylpiperidine, Piperidine, 1-methyl-; object_uuid=fo-c0b76f860804bf33
969f7f50… cas_match_labels — {"626-67-5":"exactMatch"} group_key=1-methylpiperidine||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'626-67-5': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c0b76f860804bf33: {'626-67-5': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-c0b76f860804bf33",
  "prefLabel": [
    {
      "@value": "1-methylpiperidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "prefLabel"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "<em>N</em>-Methylpiperidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    },
    {
      "@value": "Piperidine, 1-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "altLabel"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H23NO6S",
        "C6H13N",
        "C6H14ClN"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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            "CID:24729730",
            "CID:44558461"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "AMGAHYUHOCOXTN-UHFFFAOYSA-N",
        "PAMIQIKDUOTOBW-UHFFFAOYSA-N",
        "QDUXDCXILAPLAG-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)OC"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)OC",
        "CN1CCCCC1",
        "COC(=O)C(NC(=O)OC(C)(C)C)C1CCS(=O)(=O)CC1",
        "[H+].CN1CCCCC1.[Cl-]"
      ],
      "rdfs:label": "SMILES",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
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          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.SMILES"
        },
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
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          "prov:hadPrimarySource": [
            "CC(C)(C)OC(=O)NC(C1CCS(=O)(=O)CC1)C(=O)OC"
          ]
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