Consensus flow list

Identity

Type
Neutral molecule
CAS
30433-91-1
EC
250-196-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-(2-thienyl)ethanamine

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HVLUYXIJZLDNIS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
IUPAC name chemrof:IUPAC_name 2-(2-thienyl)ethanamine
Molecular formula chemrof:molecular_formula C6H9NS
Molecular mass chemrof:molecular_mass 127.212
Monoisotopic mass chemrof:monoisotopic_mass 127.04557
SMILES string chemrof:smiles_string NCCc1cccs1

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=30433-91-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=64059-34-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.619 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.058.752 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60952773 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL252803 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7UZ2FP9KDC enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J249.989D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/116521 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72508862 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4f6adaf1-a7b5-40ee-867f-a1174cbfa849 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1f8c05cd-ffe5-4b88-a046-9591401b5183 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
10480eae-6033-461b-95a0-be1cdc4911c0 Environmental → Air → Indoor EF 3.1 kg 2
75b8a314-6bad-4d93-a131-ef9e424a18dc Environmental → Air → Long-term EF 3.1 kg 0
3d71eb93-27f9-4a6e-a01b-4940aab0807b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e2520c4d-f58a-421d-9e6a-9b17c971fc90 Environmental → Air → Unknown EF 3.1 kg 2
3159dd0d-6182-408e-8932-a39bf3ea00b3 Environmental → Ground → Agricultural EF 3.1 kg 2
fd9b40a7-f43e-4469-899f-93b354f02810 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5568d139-707e-47c8-8cc8-7e0db21f147d Environmental → Ground → Unknown EF 3.1 kg 2
f5ac1fc2-920f-41f4-b968-94faa31f7621 Environmental → Water → Long-term EF 3.1 kg 0
ff3a9a3f-3458-4d9b-83ae-e6db6c4291ec Environmental → Water → Ocean EF 3.1 kg 2
c15d67bc-5f20-4ab2-9f77-be6e19e72153 Environmental → Water → Surface water EF 3.1 kg 2
b0cc15aa-c0b4-4ff6-a96d-b26240efd34a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
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        "250-196-9"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=250-196-9"
      ],
      "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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