Consensus flow list

Identity

Type
Neutral molecule
CAS
6921-29-5
EC
230-038-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tris(propyn-2-yl)amine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZHOBJWVNWMQMLF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H9N/c1-4-7-10(8-5-2)9-6-3/h1-3H,7-9H2
IUPAC name chemrof:IUPAC_name 2-Propyn-1-amine, N,N-di-2-propyn-1-yl-
Molecular formula chemrof:molecular_formula C9H9N
Molecular mass chemrof:molecular_mass 131.178
Monoisotopic mass chemrof:monoisotopic_mass 131.073499
SMILES string chemrof:smiles_string C#CCN(CC#C)CC#C

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=6921-29-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.027.307 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8022244 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=76089 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL422532 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5E92GFJ1AJ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.844I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/23351 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27261914 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3543aa98-9645-4d07-9499-d6359a468eb3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
cadfa5ce-f8c8-4ca3-8d3c-0eafa65cb2ec Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
fc8cdd2a-2409-49e4-b194-1323f36d777c Environmental → Air → Indoor EF 3.1 kg 2
6ca515d3-7a24-4392-b271-b334bb57b65d Environmental → Air → Long-term EF 3.1 kg 0
179d7d37-6577-4e9e-a20a-8163816507c2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2b7f8b8b-604f-4d55-8a2d-c141b69e60b3 Environmental → Air → Unknown EF 3.1 kg 2
19c333d3-f24f-4d2a-a8ee-18c69e9e6bfd Environmental → Ground → Agricultural EF 3.1 kg 2
6ae310ca-7069-47e4-b07e-542ef3dbecd1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
595c72e4-146c-49de-bc15-8120be8d309b Environmental → Ground → Unknown EF 3.1 kg 2
6467c091-c5ed-4c89-a2b8-4e3f770f5058 Environmental → Water → Long-term EF 3.1 kg 0
983aedde-dc0e-4be0-b3b3-8ee40b3af777 Environmental → Water → Ocean EF 3.1 kg 2
e5969697-ea24-473b-899f-61b714d570e3 Environmental → Water → Surface water EF 3.1 kg 2
881301fd-8e67-436e-a922-5b7447c21568 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-8a2115af9bf6c600",
  "prefLabel": [
    {
      "@value": "Tris(propyn-2-yl)amine",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propyn-1-amine, N,N-di-2-propyn-1-yl-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Propyn-1-amine, N,N-di-2-propynyl-",
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      }
    },
    {
      "@value": "N,N-Di-2-propyn-1-yl-2-propyn-1-amine",
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    },
    {
      "@value": "Tri(prop-2-yn-1-yl)amine",
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      }
    },
    {
      "@value": "Tri-2-propynylamine",
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}

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