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4-[(2-chloroethyl)(ethyl)amino]benzaldehyde

fo-5d2e19d2723949ee

Identity

Type
Neutral molecule
CAS
2643-07-4
EC
220-150-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-[(2-chloroethyl)(ethyl)amino]benzaldehyde

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MFUFJCIFNHFEDW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14ClNO/c1-2-13(8-7-12)11-5-3-10(9-14)4-6-11/h3-6,9H,2,7-8H2,1H3
IUPAC name chemrof:IUPAC_name 4-[(2-chloroethyl)(ethyl)amino]benzaldehyde
Molecular formula chemrof:molecular_formula C11H14ClNO
Molecular mass chemrof:molecular_mass 211.692
Monoisotopic mass chemrof:monoisotopic_mass 211.076392
SMILES string chemrof:smiles_string CCN(CCCl)c1ccc(C=O)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=2643-07-4 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.018.319 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20181022 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=73020 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GW94D6D7XP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.707F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/75842 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72450079 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
db88377d-ec9a-4200-b1b9-d450a28e94c3 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1030df75-a2d2-49c8-99b0-57313d76ff5f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0aa2d1d7-7fc1-467d-ae9e-dc9ecc2fbd0a Environmental → Air → Indoor EF 3.1 kg 2
4bcbd855-2d26-4a4f-84c1-a4cde8ffe01f Environmental → Air → Long-term EF 3.1 kg 0
2b56565d-0ebb-4b38-b083-ce79a4996449 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7ac80bce-d8d6-4f66-a359-eb0f48b9d817 Environmental → Air → Unknown EF 3.1 kg 2
05842c01-b2ca-4331-9144-ae51e37923ab Environmental → Ground → Agricultural EF 3.1 kg 2
236af491-206f-48ae-a092-b10a54508d48 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9a8666e6-6027-42bb-bd9b-548925531a35 Environmental → Ground → Unknown EF 3.1 kg 2
bbcfaf31-9d46-4542-80e6-fee21a719316 Environmental → Water → Long-term EF 3.1 kg 0
7de03c3e-4e1c-44ed-b708-f6daf8b619ed Environmental → Water → Ocean EF 3.1 kg 2
c74287dd-4927-4771-b13a-b41b4143b6d5 Environmental → Water → Surface water EF 3.1 kg 2
6c83d76e-aa24-4e4a-885b-284a257358bc 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-5d2e19d2723949ee",
  "prefLabel": [
    {
      "@value": "4-[(2-chloroethyl)(ethyl)amino]benzaldehyde",
      "@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-[(2-Chloroethyl)ethylamino]benzaldehyde",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2643-07-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2643-07-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, 4-[(2-chloroethyl)ethylamino]-",
      "@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=2643-07-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzaldehyde, p-[(2-chloroethyl)ethylamino]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H14ClNO"
      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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      ],
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
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      ],
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      ],
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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        },
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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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      ],
      "provenance": [
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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"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J30.707F",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.by_cas[2643-07-4]"
      }
    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[2643-07-4]"
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  ],
  "created_from": {
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    "seed_uuid": "05842c01-b2ca-4331-9144-ae51e37923ab",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
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    }
  },
  "classifications": {
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      "rdfs:seeAlso": [
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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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