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N-(4-chlorobenzyl)cyclopentanamine

fo-7c5514a7823345c9

Identity

Type
Neutral molecule
CAS
66063-15-8
EC
266-097-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(4-chlorobenzyl)cyclopentanamine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XIXHUNCZQIRQOG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H16ClN/c13-11-7-5-10(6-8-11)9-14-12-3-1-2-4-12/h5-8,12,14H,1-4,9H2
IUPAC name chemrof:IUPAC_name N-(4-chlorobenzyl)cyclopentanamine
Molecular formula chemrof:molecular_formula C12H16ClN
Molecular mass chemrof:molecular_mass 209.72
Monoisotopic mass chemrof:monoisotopic_mass 209.097127
SMILES string chemrof:smiles_string Clc1ccc(CNC2CCCC2)cc1

Known URLs

8

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=66063-15-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.070 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID30216258 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1619343 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/LZ8U6G8WNZ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J349.332F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/834083 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q83092467 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4673f360-bde8-43da-9a9b-f6d61eee3823 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4a8ab6a7-b913-42c2-a742-765990af8587 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0726668f-2176-41a1-98b8-69cc0a40aa07 Environmental → Air → Indoor EF 3.1 kg 2
52ac4084-1656-4f78-a799-1caca9373ff8 Environmental → Air → Long-term EF 3.1 kg 0
d2e34dc5-36ce-4e68-84a9-474061231e35 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
489641c0-836b-43a0-90c1-b7a6452abe47 Environmental → Air → Unknown EF 3.1 kg 2
6d1bcedf-8ffe-4e62-a4b3-6a9c13a2b9fc Environmental → Ground → Agricultural EF 3.1 kg 2
4aa14fbb-ecf6-42f0-a151-c979651c891d Environmental → Ground → Non-agricultural EF 3.1 kg 2
786afcf8-2173-410a-b6d1-a37f7ad1315b Environmental → Ground → Unknown EF 3.1 kg 2
a5b7dff9-4f38-4833-afda-0eb7e8839d02 Environmental → Water → Long-term EF 3.1 kg 0
01772784-3a27-47ba-99e7-360920b345c0 Environmental → Water → Ocean EF 3.1 kg 2
a7605291-7808-4213-9f58-186b88b7f424 Environmental → Water → Surface water EF 3.1 kg 2
86f5b22a-547a-48c6-b484-732a82630b70 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 
{
  "flow_object_id": "fo-7c5514a7823345c9",
  "prefLabel": [
    {
      "@value": "N-(4-chlorobenzyl)cyclopentanamine",
      "@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": "4-Chloro-N-cyclopentylbenzenemethanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:66063-15-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=66063-15-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanamine, 4-chloro-N-cyclopentyl-",
      "@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=66063-15-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(4-Chlorobenzyl)-N-cyclopentylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chloro-N-cyclopentylbenzylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C12H16ClN"
      ],
      "attested_by": {
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      },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      ],
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      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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          ]
        },
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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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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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
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        ]
      },
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    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J349.332F",
      "provenance": {
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    },
    {
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    },
    {
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  ],
  "created_from": {
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    "seed_uuid": "01772784-3a27-47ba-99e7-360920b345c0",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "types": [
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      ],
      "provenance": {
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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