Consensus flow list

Identity

Type
Chemical salt
CAS
46830-22-2
EC
256-283-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride

Alternative labels

12

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZGCZDEVLEULNLJ-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C14H20NO2.ClH/c1-4-14(16)17-11-10-15(2,3)12-13-8-6-5-7-9-13;/h4-9H,1,10-12H2,2-3H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride
Molecular formula chemrof:molecular_formula C14H20ClNO2
Molecular mass chemrof:molecular_mass 269.772
Monoisotopic mass chemrof:monoisotopic_mass 269.118257
SMILES string chemrof:smiles_string C=CC(=O)OCC[N+](C)(C)Cc1ccccc1.[Cl-]

Known URLs

7

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=31361-95-2 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=46830-22-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.051.150 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9050430 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9330J8T133 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162073 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27271548 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
11f00cc9-4c0a-4d9e-a093-7771f17785cc Environmental → Air → Aircraft cruise height EF 3.1 kg 4
0d80a3e7-f4a0-45f5-a8eb-671157f51566 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
dd1f66b3-41c1-4616-bf3a-265cfc302824 Environmental → Air → Indoor EF 3.1 kg 4
28264545-1c0e-4279-b683-32654b32112c Environmental → Air → Long-term EF 3.1 kg 0
7bbe40b4-d83d-4ebf-85c7-e691364e5c98 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
94bdbaf6-36e1-4bbb-b7db-e014523e7c49 Environmental → Air → Unknown EF 3.1 kg 4
52df28b9-3426-48a6-b887-60e1648b7e0d Environmental → Ground → Agricultural EF 3.1 kg 4
33a9b1aa-a66b-42d4-83b9-fe7ba4f1c7b0 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c35a8597-93c9-4d63-9d04-5cbe0ca0c0de Environmental → Ground → Unknown EF 3.1 kg 4
74c5196b-ab15-4889-b4b1-100cbd26fbf7 Environmental → Water → Long-term EF 3.1 kg 0
c72e009a-9a9f-4b29-97b8-323d4c4b8684 Environmental → Water → Ocean EF 3.1 kg 4
8cd54850-ac5d-457f-9321-63ceaeaa9d05 Environmental → Water → Surface water EF 3.1 kg 4
ae312a7a-0a5c-40c7-985a-c034df1a4c06 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-ec1f8a43b4536556",
  "prefLabel": [
    {
      "@value": "Benzyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium Chloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Acryloxyethyl)dimethyl(benzyl)ammonium chloride",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Acryloyloxy)ethyldimethylbenzylammonium chloride",
      "@language": "en",
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    },
    {
      "@value": "2-Acryloyloxyethyl(benzyl)dimethylammonium chloride",
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      }
    },
    {
      "@value": "Acryloxyethyldimethylbenzyl ammonium chloride",
      "@language": "en",
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    },
    {
      "@value": "Acryloyloxyethylbenzyldimethylammonium chloride",
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    },
    {
      "@value": "Acryloyloxyethyldimethylbenzylammonium chloride",
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    },
    {
      "@value": "Adamquat BZ 80",
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    },
    {
      "@value": "Benzenemethanaminium, N,N-dimethyl-N-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl]-, chloride (1:1)",
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      "@value": "Benzenemethanaminium, N,N-dimethyl-N-[2-[(1-oxo-2-propenyl)oxy]ethyl]-, chloride",
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      "@value": "Dimethylaminoethyl acrylate benzyl chloride quaternary salt",
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      "@value": "Flockstar PCB 23",
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