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1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol

2D structure
Flow Object IDfo-3ecaadc1ca5a8432
TypeConsensus
prefLabel
Label Language
1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol en
Alt Labels
Label Language Provenance
Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated en —
CAS Numbers 68603-75-8
EC Numbers 614-637-2
Changes Applied26

Provenance

Field Value
Resolverhybrid_name_cas_v1
Seed SourceEF 3.1
Seed Flow025e37f7-b7bc-477e-a0fd-eb8d94a0c84f

Properties

Predicate Value
InChIKey VZMOYCHLBDTJQI-VAWYXSNFSA-N
InChI InChI=1S/C27H56N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-29(25-27(3)31)23-20-21-28-24-26(2)30/h11-12,26-28,30-31H,4-10,13-25H2,1-3H3/b12-11+
IUPAC name 1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol
Molecular formula C27H56N2O2
Molecular mass 440.757
Monoisotopic mass 440.434179
SMILES CCCCCCCC/C=C/CCCCCCCCN(CCCNCC(C)O)CC(C)O

References

Linked Elementary Flows

UUID Source Unit Context LCIA Factors Consensus Changes
9d5400d9… EF 3.1 kg Environmental → Air → Aircraft cruise height 4 2
c93ef124… EF 3.1 kg Environmental → Air → Ground level → Rural (<1000 people/square mile) 0 2
dccd6eb9… EF 3.1 kg Environmental → Air → Ground level → Urban (>1000 people/square mile) 4 2
8434752f… EF 3.1 kg Environmental → Air → High stack, >150 meters 4 2
a4832a08… EF 3.1 kg Environmental → Air → Unknown 4 2
df45f6db… EF 3.1 kg Environmental → Air → Unknown 4 2
e49e91fe… EF 3.1 kg Environmental → Ground → Agricultural 4 2
24d2a1e9… EF 3.1 kg Environmental → Ground → Unknown 4 2
ef88e223… EF 3.1 kg Environmental → Water → Ocean 4 2
025e37f7… EF 3.1 kg Environmental → Water → Surface water 4 2
ef8ba512… EF 3.1 kg Environmental → Water → Unknown 4 2
▶

Changes Applied
Elementary Flow Field Old Value New Value Comment
025e37f7… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
025e37f7… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
24d2a1e9… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
24d2a1e9… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
5ef3892e… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
5ef3892e… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
8434752f… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
8434752f… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
9d5400d9… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
9d5400d9… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
a4832a08… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
a4832a08… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
b7be0133… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
b7be0133… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
c93ef124… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
c93ef124… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
dccd6eb9… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
dccd6eb9… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
df45f6db… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
df45f6db… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
e49e91fe… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
e49e91fe… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
ef88e223… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
ef88e223… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}
ef8ba512… altLabel — [{"@value":"Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:68603-75-8","https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}] group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; cas=68603-75-8; added Common Chemistry CAS names as altLabel: Amines, <em>N</em>-tallow alkyltrimethylenedi-, propoxylated; object_uuid=fo-3ecaadc1ca5a8432
ef8ba512… cas_match_labels — {"68603-75-8":"exactMatch"} group_key=1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol||dimension=Environmental > media=Water > water_body=Surface water; group_sources=[]; cas_sources={'68603-75-8': []}; assigned CAS labels from group consensus; object_uuid=fo-3ecaadc1ca5a8432: {'68603-75-8': 'exactMatch'}

Flow Object JSON

{
  "flow_object_id": "fo-3ecaadc1ca5a8432",
  "prefLabel": [
    {
      "@value": "1-({3-[(2-hydroxypropyl)[(9e)-octadec-9-en-1-yl]amino]propyl}amino)propan-2-ol",
      "@language": "en",
      "@lang": "en",
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  "altLabel": [
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  "properties": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CCCCCCCC/C=C/CCCCCCCCN(CCCNCC(C)O)CC(C)O"
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    "https://w3id.org/chemrof/inchi2d_string": {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "Molecular formula",
      "@value": [
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        "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
        "440.757"
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCCCC/C=C/CCCCCCCCN(CCCNCC(C)O)CC(C)O"
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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": [
        "440.434179"
      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CCCCCCCC/C=C/CCCCCCCCN(CCCNCC(C)O)CC(C)O"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=68603-75-8",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "025e37f7-b7bc-477e-a0fd-eb8d94a0c84f",
    "seed_source": "EF 3.1"
  },
  "classifications": {
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=68603-75-8"
      ],
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