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4-amino-n-(2-ethylhexyl)benzenesulfonamide

fo-041f24a479dfd0bb

Identity

Type
Neutral molecule
CAS
53817-09-7
EC
258-799-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 4-amino-n-(2-ethylhexyl)benzenesulfonamide

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HHEXVLXMZIVFSS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H24N2O2S/c1-3-5-6-12(4-2)11-16-19(17,18)14-9-7-13(15)8-10-14/h7-10,12,16H,3-6,11,15H2,1-2H3
IUPAC name chemrof:IUPAC_name Benzenesulfonamide, 4-amino-N-(2-ethylhexyl)-
Molecular formula chemrof:molecular_formula C14H24N2O2S
Molecular mass chemrof:molecular_mass 284.425
Monoisotopic mass chemrof:monoisotopic_mass 284.155849
SMILES string chemrof:smiles_string CCCCC(CC)CNS(=O)(=O)c1ccc(N)cc1

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=53817-09-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.053.436 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID70968603 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J279.512D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/103843 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82951449 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d33429fe-3268-4ce6-80e2-2285fe8b8532 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
334e1513-256d-455e-bd92-27557ee2bba7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
72ebde21-c540-44e7-bb14-f6d9d316402d Environmental → Air → Indoor EF 3.1 kg 2
07dc477c-117d-492e-9daa-df5b1cd7ed3f Environmental → Air → Long-term EF 3.1 kg 0
6d1fe8ac-eadf-40ad-9b8a-511114731b2d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e18387a2-901e-4ada-9b89-0e089a5d2903 Environmental → Air → Unknown EF 3.1 kg 2
7d095388-1b42-4820-b6ac-24e09291d77f Environmental → Ground → Agricultural EF 3.1 kg 2
0ef89b53-bd0a-4214-b2f1-063e3b3995a1 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3f95b414-8b2a-4025-abf0-f93f988228bd Environmental → Ground → Unknown EF 3.1 kg 2
3230f65e-a437-450f-a1e5-1ff33e3c24b3 Environmental → Water → Long-term EF 3.1 kg 0
b82eb9b7-d978-4be6-87c9-4a02281d35ed Environmental → Water → Ocean EF 3.1 kg 2
444832b4-91eb-490b-914a-23c3b353f684 Environmental → Water → Surface water EF 3.1 kg 2
aa4116c9-928b-4890-a552-bccf13e623e5 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-041f24a479dfd0bb",
  "prefLabel": [
    {
      "@value": "4-amino-n-(2-ethylhexyl)benzenesulfonamide",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Benzenesulfonamide, 4-amino-N-(2-ethylhexyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=53817-09-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "@value": [
        "C14H24N2O2S"
      ],
      "attested_by": {
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        ]
      },
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      "provenance": [
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    },
    "https://w3id.org/chemrof/smiles_string": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "@value": [
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        ]
      },
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "attested_by": {
        "284.425": [
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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": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      ],
      "provenance": [
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          "prov:hadPrimarySource": [
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        }
      ],
      "attested_by": {
        "284.155849": [
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          "rdkit_pre_consensus"
        ]
      },
      "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=J279.512D",
      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "pubchem.identifiers[53817-09-7]"
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    },
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    {
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      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.identifiers[53817-09-7]"
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "07dc477c-117d-492e-9daa-df5b1cd7ed3f",
    "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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      "@value": [
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      "rdfs:seeAlso": [
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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      ],
      "provenance": {
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        "prov:wasDerivedFrom": "ec_numbers"
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  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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