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N-allylaniline

fo-73807d1efc111de9

Identity

Type
Neutral molecule
CAS
589-09-3
EC
209-633-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for N-allylaniline

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LQFLWKPCQITJIH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
IUPAC name chemrof:IUPAC_name N-allylaniline
Molecular formula chemrof:molecular_formula C9H11N
Molecular mass chemrof:molecular_mass 133.194
Monoisotopic mass chemrof:monoisotopic_mass 133.089149
SMILES string chemrof:smiles_string C=CCNc1ccccc1

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=589-09-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.759 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5022065 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02870 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=1967 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1234871 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q7S639GWXG enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J95.035A enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=147422 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1234871 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/68525 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q165003 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1b55a833-6039-4705-b3f3-8935584a9244 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
350ed069-459a-4746-ba3b-715d19fecc2c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1ef444d5-005c-44dc-963a-8257fa128cd4 Environmental → Air → Indoor EF 3.1 kg 2
65986b1f-9a8e-471f-8d76-3f91e7d24433 Environmental → Air → Long-term EF 3.1 kg 0
1f2e3eb9-df42-4ac8-9cde-f48f8235926e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2105bd80-8794-4ce4-bf27-9bf9d6320471 Environmental → Air → Unknown EF 3.1 kg 2
b918b6f7-ae49-4244-a360-eedf2971f680 Environmental → Ground → Agricultural EF 3.1 kg 2
f13b47b4-b098-49da-97c9-f7fcb02d76d5 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cff8160d-78e1-4ebf-b8b8-78cabf397e6d Environmental → Ground → Unknown EF 3.1 kg 2
3f391f6b-b53f-43aa-8ae9-eee779c74b2c Environmental → Water → Long-term EF 3.1 kg 0
02aedf94-e047-467e-9e57-ba60e72d1f43 Environmental → Water → Ocean EF 3.1 kg 2
884b2a75-70d5-46af-b96d-a71e0b8d6240 Environmental → Water → Surface water EF 3.1 kg 2
62d7e09e-f7b9-4fd3-8517-6754c066b622 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-73807d1efc111de9",
  "prefLabel": [
    {
      "@value": "N-allylaniline",
      "@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": "Allylphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:589-09-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Aniline, N-allyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:589-09-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, N-2-propen-1-yl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:589-09-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, N-2-propenyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:589-09-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Propenyl)aniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:589-09-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(2-Propenyl)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-2-Propen-1-ylbenzenamine",
      "@language": "en",
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      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Allyl-N-phenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=589-09-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Phenylallylamine",
      "@language": "en",
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      "provenance": {
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}

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