Consensus flow list

Identity

Type
NeutralMolecule
CAS
10175-31-2
EC
688-329-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(2-chlorophenyl)-n,n-dimethylmethanamine

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MZKKJAOOPDDXQQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12ClN/c1-11(2)7-8-5-3-4-6-9(8)10/h3-6H,7H2,1-2H3
IUPAC name chemrof:IUPAC_name 2-(Dimethylaminomethyl)chlorobenzene
Molecular formula chemrof:molecular_formula C9H12ClN
Molecular mass chemrof:molecular_mass 169.655
Monoisotopic mass chemrof:monoisotopic_mass 169.065827
SMILES string chemrof:smiles_string CN(C)Cc1ccccc1Cl

Known URLs

6

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=10175-31-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.214.979 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40893610 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.319.088G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/818014 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81987709 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
3359292e-557c-479b-a931-35a9e2be25db Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fcedb25e-72fd-4e9c-b9bb-93a7cb95c6bf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
a11d42e2-aed9-40e4-b404-3c46b28e9993 Environmental → Air → Indoor EF 3.1 kg 2
b5891f0c-d401-4510-b45d-cc961a498550 Environmental → Air → Long-term EF 3.1 kg 0
06afeb3b-41ef-4d62-befb-9926955bd155 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4e974a12-ca10-4da5-acd0-251dc31e11da Environmental → Air → Unknown EF 3.1 kg 2
210138ad-552b-4b35-94da-01e018556ecb Environmental → Ground → Agricultural EF 3.1 kg 2
5ad66e39-b702-45ea-a098-202689e87269 Environmental → Ground → Non-agricultural EF 3.1 kg 2
ca1fdaad-a9e4-4fa6-9bea-b98c8ce43271 Environmental → Ground → Unknown EF 3.1 kg 2
c9715589-998e-444c-8814-e88cb4f09a7b Environmental → Water → Long-term EF 3.1 kg 0
6f77799a-b1ca-495e-99ce-32331413b2ab Environmental → Water → Ocean EF 3.1 kg 2
da035f32-b407-4f8e-9856-eb155e674a2a Environmental → Water → Surface water EF 3.1 kg 2
e6963ea3-4930-4251-83d9-874fc2269dc7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a8738451701f450e",
  "prefLabel": [
    {
      "@value": "1-(2-chlorophenyl)-n,n-dimethylmethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Dimethylaminomethyl)chlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:10175-31-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10175-31-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-N,N-dimethylbenzenemethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "CAS:10175-31-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=10175-31-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chloro-N,N-dimethylbenzylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Chlorobenzyldimethylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "[(2-Chlorophenyl)methyl]dimethylamine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanamine, 2-chloro-N,N-dimethyl-",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzylamine, o-chloro-N,N-dimethyl-",
      "@language": "en",
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      "provenance": {
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    },
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      "rdfs:label": "InChI",
      "@value": [
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    },
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    "https://w3id.org/chemrof/molecular_mass": {
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        },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "@type": [
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}

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