Consensus flow list

Identity

Type
Neutral molecule
CAS
96-20-8
EC
202-488-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-aminobutan-1-ol

Alternative labels

14

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JCBPETKZIGVZRE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H11NO/c1-2-4(5)3-6/h4,6H,2-3,5H2,1H3
IUPAC name chemrof:IUPAC_name 2-aminobutan-1-ol
Molecular formula chemrof:molecular_formula C4H11NO
Molecular mass chemrof:molecular_mass 89.138
Monoisotopic mass chemrof:monoisotopic_mass 89.084064
SMILES string chemrof:smiles_string CCC(N)CO

Known URLs

12

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=96-20-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.263 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.032.658 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID60859935 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1068 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL327032 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N008Q02GPS enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0245012 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.181D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/22129 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27284318 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72439068 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
14886ad1-de61-44d1-9942-06139767b22d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f78cdefd-0bdd-4021-b976-ab7a751cd0c2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
45201a82-eca0-4a1c-bc6e-061dbae2e4b9 Environmental → Air → Indoor EF 3.1 kg 4
8e2e05e2-8d06-4a88-9d52-435c414a4e8a Environmental → Air → Long-term EF 3.1 kg 0
bb0fb4bb-fc38-4559-a147-2ca27569dc1f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
83f9201d-c758-4e18-9d0f-afea97af3fc6 Environmental → Air → Unknown EF 3.1 kg 4
5af42c9b-ddde-4f6c-8628-5d1b862ade20 Environmental → Ground → Agricultural EF 3.1 kg 4
5ff8a07b-40c9-4670-822e-ad9de9b1b350 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7497584b-6dc0-4c4f-879b-fe819732d063 Environmental → Ground → Unknown EF 3.1 kg 4
5c58d171-4cf9-4bed-b6e9-5b0f654997d3 Environmental → Water → Long-term EF 3.1 kg 0
c20e9f01-f431-4e6f-8d8c-3c45fd9e82d7 Environmental → Water → Ocean EF 3.1 kg 4
720d486c-90aa-40c2-bec4-7498b5792dda Environmental → Water → Surface water EF 3.1 kg 4
af3aa0d8-0b9c-44d1-a96d-a910525d1250 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3d28508b8676708a",
  "prefLabel": [
    {
      "@value": "2-aminobutan-1-ol",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(RS)-2-Amino-1-butanol",
      "@language": "en",
      "@lang": "en",
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      "@value": "(±)-2-Amino-1-butanol",
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    {
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    },
    {
      "@value": "1-Butanol, 2-amino-",
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    {
      "@value": "1-Hydroxybutan-2-amine",
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    {
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      "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": [
        "96-20-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=96-20-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=96-20-8"
        }
      ],
      "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": [
        "202-488-2"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-488-2"
      ],
      "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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