Consensus flow list

Identity

Type
NeutralMolecule
CAS
108-03-2
EC
203-544-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 1-nitropropane

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JSZOAYXJRCEYSX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H7NO2/c1-2-3-4(5)6/h2-3H2,1H3
IUPAC name chemrof:IUPAC_name 1-nitropropane
Molecular formula chemrof:molecular_formula C3H7NO2
Molecular mass chemrof:molecular_mass 89.094
Monoisotopic mass chemrof:monoisotopic_mass 89.047678
SMILES string chemrof:smiles_string CCC[N+](=O)[O-]

Known URLs

16

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=108-03-2 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25322-01-4 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/TZ4D7038.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:76261 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.223 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1050 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020980 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=6363 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1449933 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/39W305OW99 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0243966 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.413I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7903 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2608 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q2567814 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Nitropropane enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c3b57753-3328-43f2-be18-ff03ad63410c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8fd21d60-b311-4924-b6e0-ffa87cf15d8d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
728fea5e-c5d9-4c51-9b38-c44cb4e957df Environmental → Air → Indoor EF 3.1 kg 4
7cf4a0e7-11e8-4386-8e4b-132dc9b571d5 Environmental → Air → Long-term EF 3.1 kg 0
d9c598ec-0597-40a6-8a5c-a190d57ab75a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d088ed04-49dc-4020-ae67-736a27f7e16f Environmental → Air → Unknown EF 3.1 kg 4
73dd80be-04c4-46c2-b862-9f4558263147 Environmental → Ground → Agricultural EF 3.1 kg 4
042c1c19-977c-4b2c-a23e-589007fd8723 Environmental → Ground → Non-agricultural EF 3.1 kg 4
4b4237bf-75e7-49d7-8a1e-03379abeb0ad Environmental → Ground → Unknown EF 3.1 kg 4
51677aeb-697d-4d2d-905b-b33778c41447 Environmental → Water → Long-term EF 3.1 kg 0
d045b7ea-762d-4e25-a5ea-77fb29953a1a Environmental → Water → Ocean EF 3.1 kg 4
65645263-a7b9-4e49-9bad-310d11781539 Environmental → Water → Surface water EF 3.1 kg 4
03fde4f6-c88a-4b34-b4a5-4429a0e77ea2 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-43c687dc37ac7b8e",
  "prefLabel": [
    {
      "@value": "1-nitropropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Propane, 1-nitro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:108-03-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=108-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C3H7NO2"
      ],
      "attested_by": {
        "C3H7NO2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
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      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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      },
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    }
  },
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}

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