Consensus flow list

Identity

Type
NeutralMolecule
CAS
2372-82-9
EC
219-145-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NYNKJVPRTLBJNQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3
IUPAC name chemrof:IUPAC_name 1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-
Molecular formula chemrof:molecular_formula C18H41N3
Molecular mass chemrof:molecular_mass 299.547
Monoisotopic mass chemrof:monoisotopic_mass 299.330048
SMILES string chemrof:smiles_string CCCCCCCCCCCCN(CCCN)CCCN

Known URLs

9

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=2372-82-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.406 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041243 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PCJ6308JUE enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J213.232J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75407 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=006135 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27286479 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Laurylamine_dipropylenediamine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
00936495-b323-41c8-91bf-dfb37693e625 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d70b705d-e37b-4e32-b32f-c17775b919ec Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c157fe0d-ade2-4f3f-9803-45633975059f Environmental → Air → Indoor EF 3.1 kg 4
2338819e-679a-46a7-981e-ce67605e157a Environmental → Air → Long-term EF 3.1 kg 0
ac2f4285-3441-4914-bb3a-60f29bca2c25 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1673943f-f636-458f-a34f-7adb3fe7bdd5 Environmental → Air → Unknown EF 3.1 kg 4
bca94968-af4e-47ed-aa7d-02444d1e3cdc Environmental → Ground → Agricultural EF 3.1 kg 4
dc4860bc-b1df-4a58-8b67-7d52611dcc46 Environmental → Ground → Non-agricultural EF 3.1 kg 4
04e14921-99f9-40bd-b13b-1f94bceb020c Environmental → Ground → Unknown EF 3.1 kg 4
ccc4df8b-4d7f-45b0-a6e9-0f900b965b97 Environmental → Water → Long-term EF 3.1 kg 0
87c159ba-dc02-4b49-9a76-59a52c4e7e67 Environmental → Water → Ocean EF 3.1 kg 4
ecb1db2c-f70a-454f-bafc-cdc873fc009a Environmental → Water → Surface water EF 3.1 kg 4
b7ed313e-dbcc-4a7a-9255-0cf91226f234 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6a0b589396e2de1f",
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      "@value": "N-(3-aminopropyl)-n-dodecylpropane-1,3-diamine/n",
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  "altLabel": [
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    },
    {
      "@value": "1,3-Propanediamine, N1-(3-aminopropyl)-N1-dodecyl-",
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    {
      "@value": "Bis(3-aminopropyl)dodecylamine",
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    {
      "@value": "Dodecylamine, N,N-bis(3-aminopropyl)-",
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  "properties": {
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    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "00936495-b323-41c8-91bf-dfb37693e625",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "2372-82-9"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=2372-82-9"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=2372-82-9"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "219-145-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=219-145-8"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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