Consensus flow list

Identity

Type
NeutralMolecule
CAS
112-90-3
EC
204-015-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
63 across every transformer

Structure

Structure diagram for (z)-octadec-9-enylamine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

28

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QGLWBTPVKHMVHM-KTKRTIGZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-19H2,1H3/b10-9-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCCN
IUPAC name chemrof:IUPAC_name (z)-octadec-9-enylamine, (Z)-octadec-9-enylamine
Molecular formula chemrof:molecular_formula C18H37N
Molecular mass chemrof:molecular_mass 267.501
Monoisotopic mass chemrof:monoisotopic_mass 267.2926
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCCN

Known URLs

10

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=112-90-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.650 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8026933 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=66461 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1976606 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZDQ1JWQ8DT enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.382F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5356789 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q7086490 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oleylamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
616b953a-0198-4e2e-a0b8-2bbdbd775af0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
23259fb9-429a-45ee-8529-e40070bb1b0e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
138bd082-9845-4d94-8c24-45fd47df0f66 Environmental → Air → Indoor EF 3.1 kg 2
83dbfa11-7fb2-430c-bf54-d195fdf5a333 Environmental → Air → Long-term EF 3.1 kg 0
2911d1eb-6439-4584-9bce-bec9c5b702e7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
76429dcb-35e5-463e-aea0-8e557564b7c7 Environmental → Air → Unknown EF 3.1 kg 2
a88d34e1-408a-44a6-ad5b-d4326b7976e0 Environmental → Ground → Agricultural EF 3.1 kg 2
40c3b601-f341-4f46-922a-d2cb1d1f9630 Environmental → Ground → Non-agricultural EF 3.1 kg 2
e20190b6-1711-4fe4-9d39-5b9725f54dde Environmental → Ground → Unknown EF 3.1 kg 2
a23ec20a-edeb-4c62-87cc-17de0466e367 Environmental → Water → Long-term EF 3.1 kg 0
9487ad4e-9d58-45e9-8d69-81f12212b5a6 Environmental → Water → Ocean EF 3.1 kg 2
fca6a608-2af5-42b6-bb6a-3623fba8570e Environmental → Water → Surface water EF 3.1 kg 2
bd663c82-7d5a-4823-b2aa-3125967e8c84 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (63 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7c44ffb0ceaabaa1",
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  ],
  "altLabel": [
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    },
    {
      "@value": "(9Z)-9-Octadecen-1-amine",
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    {
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    {
      "@value": "Armeen OM 97",
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    },
    {
      "@value": "Arosurf AA 60",
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    },
    {
      "@value": "cis-9-Octadecenylamine",
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    },
    {
      "@value": "Corsamine POD-V",
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    },
    {
      "@value": "Farmin O-V",
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    },
    {
      "@value": "Genamin OL 100D",
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      }
    },
    {
      "@value": "Kemamine P 989",
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    },
    {
      "@value": "Kemamine P 989D",
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    },
    {
      "@value": "Lipomin O",
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    },
    {
      "@value": "Nissan Amine OB",
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    },
    {
      "@value": "Noram O",
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    {
      "@value": "Noram OD",
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    },
    {
      "@value": "Oleamine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Oleinamine",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oleylamine",
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    },
    {
      "@value": "SK-FLOT",
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  ],
  "properties": {
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        "C18H37N"
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          "prov:wasGeneratedBy": "rdkit_post_consensus",
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          "prov:hadPrimarySource": [
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        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
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