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2,6-Dimethyl-1,4-dinitrosopiperazine

fo-db585212b776ed3c

Identity

Type
Neutral molecule
CAS
55380-34-2
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
68 across every transformer

Structure

Structure diagram for 2,6-Dimethyl-1,4-dinitrosopiperazine

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JIWAGFGPBKDFQN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12N4O2/c1-5-3-9(7-11)4-6(2)10(5)8-12/h5-6H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,6-Dimethyl-1,4-dinitrosopiperazine, 2,6-dimethyl-1,4-dinitrosopiperazine
Molecular formula chemrof:molecular_formula C6H12N4O2
Molecular mass chemrof:molecular_mass 172.188
Monoisotopic mass chemrof:monoisotopic_mass 172.096026
SMILES string chemrof:smiles_string CC1CN(N=O)CC(C)N1N=O

Known URLs

7

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=55380-34-2 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021468 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL348953 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8P7FYE3F7K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.071E enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/41432 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81983757 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
af19889e-ff1a-4b2d-a97f-68d92e68eda6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
08f415bc-9256-4583-8b4d-36b0f01d1083 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6b81419f-b1e5-4be4-9bbd-89b188b28bcb Environmental → Air → Indoor EF 3.1 kg 2
c902f761-e17c-4c50-aa4a-1395dd9fec2c Environmental → Air → Long-term EF 3.1 kg 0
fe429751-c55a-45e6-b2b2-4a6299494a88 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
511c3a36-eeaa-44db-867d-590a3e323014 Environmental → Air → Unknown EF 3.1 kg 2
92397fa4-8131-41aa-9d25-21cf5286b1a7 Environmental → Ground → Agricultural EF 3.1 kg 2
6ecd9e51-61ee-46ce-b912-4052dadd2a19 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ae00c4d9-51c9-4795-a7d9-10bb0f0df7f0 Environmental → Ground → Unknown EF 3.1 kg 2
4f5c35db-ab86-401b-88f5-e89e6303419e Environmental → Water → Long-term EF 3.1 kg 0
0f274713-985d-4387-82cc-a8b335744d48 Environmental → Water → Ocean EF 3.1 kg 2
0773d6dc-acea-4459-af43-5454730a9643 Environmental → Water → Surface water EF 3.1 kg 2
3c64ce3d-787a-4f30-a50b-e46ad3496dfd Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (68 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-db585212b776ed3c",
  "prefLabel": [
    {
      "@value": "2,6-Dimethyl-1,4-dinitrosopiperazine",
      "@language": "en",
      "@lang": "en",
      "provenance": [
        {
          "prov:wasGeneratedBy": "bootstrap_labels",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "EF 3.1"
          ],
          "prov:wasDerivedFrom": "legacy name field"
        },
        {
          "prov:wasGeneratedBy": "consensus_match",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CAS:55380-34-2",
            "EF 3.1"
          ],
          "prov:wasDerivedFrom": "multi-source name consensus"
        }
      ]
    }
  ],
  "altLabel": [
    {
      "@value": "2,6-dime-n,n'-dinitrosopiperazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "original EF name retained as altLabel"
      }
    },
    {
      "@value": "2,6-Dimethyldinitrosopiperazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:55380-34-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55380-34-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Piperazine, 2,6-dimethyl-1,4-dinitroso-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=55380-34-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6H12N4O2"
      ],
      "attested_by": {
        "C6H12N4O2": [
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        ]
      },
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      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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      ]
    },
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      ],
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      "rdfs:label": "InChIKey",
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
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      ],
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          ]
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
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      ],
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        },
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        },
        {
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      ],
      "attested_by": {
        "InChI=1S/C6H12N4O2/c1-5-3-9(7-11)4-6(2)10(5)8-12/h5-6H,3-4H2,1-2H3": [
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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        "2,6-dimethyl-1,4-dinitrosopiperazine"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "2,6-Dimethyl-1,4-dinitrosopiperazine",
          "2,6-dimethyl-1,4-dinitrosopiperazine"
        ]
      },
      "attested_by": {
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        "2,6-dimethyl-1,4-dinitrosopiperazine": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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          ]
        }
      ],
      "attested_by": {
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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        },
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "172.096026": [
          "rdkit_post_consensus",
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        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.071E",
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[55380-34-2]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL348953",
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        "prov:wasDerivedFrom": "pubchem.identifiers[55380-34-2]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "0773d6dc-acea-4459-af43-5454730a9643",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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