Consensus flow list

Identity

Type
Neutral molecule
CAS
102-27-2
EC
203-019-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for N-ethyl-m-toluidine

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GUYMMHOQXYZMJQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
IUPAC name chemrof:IUPAC_name N-ethyl-m-toluidine
Molecular formula chemrof:molecular_formula C9H13N
Molecular mass chemrof:molecular_mass 135.21
Monoisotopic mass chemrof:monoisotopic_mass 135.104799
SMILES string chemrof:smiles_string CCNc1cccc(C)c1

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=102-27-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.746 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021848 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8624 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182610 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/12K193MTCR enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.802D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7603 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2754 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27251419 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc3dafac-6540-4907-8441-ba0d5e8d69d7 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3321669e-fc1e-4fa0-a8dd-d8bca6899374 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
cb8144b5-d2be-426c-adef-136987769484 Environmental → Air → Indoor EF 3.1 kg 2
9ac12abb-edbc-4e87-88fb-de2cff08be95 Environmental → Air → Long-term EF 3.1 kg 0
e2c936bd-d98d-476a-a2d3-3b5c6e60d3d8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
861f6000-6bf0-4fec-bb1d-fa62a59fd228 Environmental → Air → Unknown EF 3.1 kg 2
b2ac3cc4-0438-4e65-a3ae-31fcb5d53a82 Environmental → Ground → Agricultural EF 3.1 kg 2
7a9f386a-65a9-430f-b7f6-c919d24c73ac Environmental → Ground → Non-agricultural EF 3.1 kg 2
19ba8085-a820-450b-8cce-46ca1999a8ed Environmental → Ground → Unknown EF 3.1 kg 2
6a2a9eb7-bc96-4401-b737-bddf8972afae Environmental → Water → Long-term EF 3.1 kg 0
0deddeaa-6744-4914-9dc0-d6d8669a0acf Environmental → Water → Ocean EF 3.1 kg 2
d4e55fb6-a7a7-4399-a042-606a320d03eb Environmental → Water → Surface water EF 3.1 kg 2
17a38f4b-415d-48c1-a807-707f5b1092ea Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-dfd4d5886d82afc8",
  "prefLabel": [
    {
      "@value": "N-ethyl-m-toluidine",
      "@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": "3-Methyl-N-ethylaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=102-27-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, N-ethyl-3-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=102-27-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Toluidine, N-ethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=102-27-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Ethyl(3-methylphenyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Ethyl-3-methylaniline",
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    },
    {
      "@value": "N-Ethyl-3-methylbenzenamine",
      "@language": "en",
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        },
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        }
      ],
      "attested_by": {
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      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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