Consensus flow list

Identity

Type
Neutral molecule
CAS
37143-54-7
EC
609-333-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Reaction Mass Of (r)-(-)-1-methoxy-2-propylamine And (s)-(+)-1-methoxy-2-propylamine

Alternative labels

16

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NXMXETCTWNXSFG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3
IUPAC name chemrof:IUPAC_name (1-Methoxypropan-2-yl)amine
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 COCC(C)N

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=37143-54-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.112 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.706 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4029359 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184692 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/35BQ7GUH18 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J303.829G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/123458 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1993 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q15632831 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
16d98cdd-2520-4e5c-9f13-aeeb2fea6a7e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
eb4e44d8-3bf0-49d9-8422-641d88759e21 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
af1cdb5b-8b09-4756-acbb-734d7e6043bb Environmental → Air → Indoor EF 3.1 kg 2
56763ac9-d49a-41ac-a8ae-e6a538b8c5ae Environmental → Air → Long-term EF 3.1 kg 0
d5684cde-fa1a-4bef-a863-321bec3c560d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
762d6b02-a2a7-48ea-8315-a2531279438b Environmental → Air → Unknown EF 3.1 kg 2
0a9dfe91-aa37-4a90-b9ca-084031137e72 Environmental → Ground → Agricultural EF 3.1 kg 2
f73e40cf-5850-4b12-85ff-e89060a5860e Environmental → Ground → Non-agricultural EF 3.1 kg 2
ee2ff8cb-3b4c-4278-b6c9-0cc9a7a76261 Environmental → Ground → Unknown EF 3.1 kg 2
1e4b7f85-9588-4bcb-8a2d-a4360edf357e Environmental → Water → Long-term EF 3.1 kg 0
7ac1ad90-11eb-415b-bf59-bbb489d53d90 Environmental → Water → Ocean EF 3.1 kg 2
70aa894f-60fb-4b62-81ea-563ccf5a56a5 Environmental → Water → Surface water EF 3.1 kg 2
9a4bb25f-dc70-4593-a72d-d007b3b73b99 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
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    "seed_uuid": "0a9dfe91-aa37-4a90-b9ca-084031137e72",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "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": [
        "37143-54-7"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=37143-54-7"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=37143-54-7"
        }
      ],
      "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": [
        "609-333-1"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=609-333-1"
      ],
      "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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