Consensus flow list

Identity

Type
Neutral molecule
CAS
646-25-3
EC
211-471-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Decane-1,10-diamine

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YQLZOAVZWJBZSY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H24N2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-12H2
IUPAC name chemrof:IUPAC_name Decane-1,10-diamine
Molecular formula chemrof:molecular_formula C10H24N2
Molecular mass chemrof:molecular_mass 172.316
Monoisotopic mass chemrof:monoisotopic_mass 172.193949
SMILES string chemrof:smiles_string NCCCCCCCCCCN

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=646-25-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.430 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8060953 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10400 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL570383 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6GPF1OF9Y1 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.809C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1317 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=489548 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27264883 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f1575fac-0b29-4d7b-8378-c36dfde27c0f Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d60c33ec-391c-485a-960f-f6a64b798931 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9508eab9-3ec1-48bb-9aee-784e43e604c6 Environmental → Air → Indoor EF 3.1 kg 4
e85ed407-edab-46df-883e-8f9b9c346e03 Environmental → Air → Long-term EF 3.1 kg 0
f4aaba6d-5120-4b1e-b0d0-7c985b19ecef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
69c06ce6-d5e2-4b5e-9e2e-108c5bc66ca4 Environmental → Air → Unknown EF 3.1 kg 4
af6aec85-c108-4e14-8e91-7a240411c977 Environmental → Ground → Agricultural EF 3.1 kg 4
39d92ade-b240-42d5-aca2-7e37e825dbee Environmental → Ground → Non-agricultural EF 3.1 kg 4
16bbf7c9-512a-4fd2-8449-468c0f27ed8d Environmental → Ground → Unknown EF 3.1 kg 4
3f0640e5-8e99-4760-9fe4-aae93a453a17 Environmental → Water → Long-term EF 3.1 kg 0
68029f37-939e-41b1-872c-a01ea006f516 Environmental → Water → Ocean EF 3.1 kg 4
dd3bbddc-966a-43cd-b5ad-bc686f3f449d Environmental → Water → Surface water EF 3.1 kg 4
fcb90730-0acd-4c69-8f60-59c002b60579 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-67095186f5466536",
  "prefLabel": [
    {
      "@value": "Decane-1,10-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,10-Decamethylenediamine",
      "@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=646-25-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,10-Decanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,10-Decylenediamine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,10-Diamino-n-decane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,10-Diaminodecane",
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    },
    {
      "@value": "Decamethylenediamine",
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    },
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