Consensus flow list

Identity

Type
Neutral molecule
CAS
4200-95-7
EC
224-103-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Heptadecylamine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KAJZYANLDWUIES-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-18H2,1H3
IUPAC name chemrof:IUPAC_name Heptadecylamine
Molecular formula chemrof:molecular_formula C17H37N
Molecular mass chemrof:molecular_mass 255.49
Monoisotopic mass chemrof:monoisotopic_mass 255.2926
SMILES string chemrof:smiles_string CCCCCCCCCCCCCCCCCN

Known URLs

8

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=4200-95-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.913 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1063350 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=91524 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4YG9UE6EH0 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J106.588B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15791 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27260667 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
29d594e8-5266-470f-9848-c99fb8c8f19e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
dd07a0db-3f39-47b6-bc67-f32d60a4faff Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4f2dbc4e-f572-47c4-8aa7-e032bdb13fa8 Environmental → Air → Indoor EF 3.1 kg 2
587d6134-abb7-4ab3-a1a3-97207013aef3 Environmental → Air → Long-term EF 3.1 kg 0
b507e994-e6d9-47ff-84a9-6000c4c8d70d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6628a215-7280-4003-8da9-8d9d123ad706 Environmental → Air → Unknown EF 3.1 kg 2
4d957d5f-a207-459d-9dc5-a481725894ae Environmental → Ground → Agricultural EF 3.1 kg 2
fb8ea77c-3ff8-4f68-88fe-c8f7351a203e Environmental → Ground → Non-agricultural EF 3.1 kg 2
ae8bb34b-3b0b-44b0-954b-9694c273e969 Environmental → Ground → Unknown EF 3.1 kg 2
8d2f4ff1-dc7f-4512-a4fa-50d4e72d2e78 Environmental → Water → Long-term EF 3.1 kg 0
b50acb17-7a43-4f1e-9601-0ec063190f2c Environmental → Water → Ocean EF 3.1 kg 2
e02dc123-329e-4a70-a973-71fa699e9d9a Environmental → Water → Surface water EF 3.1 kg 2
5f0d9f29-8c19-4ed5-96b7-cda4af01b8cb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-2afd21b5f2a2274e",
  "prefLabel": [
    {
      "@value": "Heptadecylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Aminoheptadecane",
      "@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=4200-95-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Heptadecanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:4200-95-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=4200-95-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Margarylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "n-Heptadecylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=4200-95-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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        "C17H37N"
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      "attested_by": {
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        ]
      },
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        },
        {
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          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCN"
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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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          "prov:hadPrimarySource": [
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      ],
      "attested_by": {
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        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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      ],
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        {
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          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
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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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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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      },
      "attested_by": {
        "Heptadecylamine": [
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        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCN"
          ]
        }
      ],
      "attested_by": {
        "255.49": [
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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": [
        255.2926
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCCCCCCCCCCCCCCCCN"
          ]
        }
      ],
      "attested_by": {
        "255.2926": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
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      "provenance": {
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "29d594e8-5266-470f-9848-c99fb8c8f19e",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  },
  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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