Consensus flow list

Identity

Type
Chemical salt
CAS
56-93-9
EC
200-300-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Benzyltrimethylammonium Chloride

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KXHPPCXNWTUNSB-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1
IUPAC name chemrof:IUPAC_name Benzyltrimethylammonium Chloride
Molecular formula chemrof:molecular_formula C10H16ClN
Molecular mass chemrof:molecular_mass 185.698
Monoisotopic mass chemrof:monoisotopic_mass 185.097127
SMILES string chemrof:smiles_string C[N+](C)(C)Cc1ccccc1.[Cl-]

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=56-93-9 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.273 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024600 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1372143 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VNK45Y7BA1 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=123388 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5963 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q22829137 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
56963270-5322-4050-8a42-f1cbba05fde6 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4b315b69-3ac5-4350-a592-c7bedfc7e260 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
01f7c92f-04ea-4c58-b1e8-d73755aa7d99 Environmental → Air → Indoor EF 3.1 kg 4
22a67b83-430a-432d-ac70-937af1452dca Environmental → Air → Long-term EF 3.1 kg 0
b71446bb-a4e9-4dca-9d29-d63ad62180db Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5175c247-85ab-4960-af4a-0ac46597d476 Environmental → Air → Unknown EF 3.1 kg 4
7d967ef5-bc97-49f8-a891-e28718873641 Environmental → Ground → Agricultural EF 3.1 kg 4
0d880a12-abcf-4787-bcfb-a71e53cdf6f4 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3febc633-27c7-4d35-93ea-8828a1fca336 Environmental → Ground → Unknown EF 3.1 kg 4
21ef7659-6d80-4bcc-9745-a795b90ff39b Environmental → Water → Long-term EF 3.1 kg 0
34bd0150-7cd1-4dbb-bfc4-84b917b8f21a Environmental → Water → Ocean EF 3.1 kg 4
a683be99-ba24-4f7b-b8e1-2ccda6ddb49e Environmental → Water → Surface water EF 3.1 kg 4
8ce14b1e-13fa-4e33-ba91-59985c950c83 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-26d69daaca2d87ce",
  "prefLabel": [
    {
      "@value": "Benzyltrimethylammonium Chloride",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
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    }
  ],
  "altLabel": [
    {
      "@value": "Amberlite IRC 178(Cl)",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ammonium, benzyltrimethyl-, chloride",
      "@language": "en",
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      }
    },
    {
      "@value": "Benzenemethanaminium, N,N,N-trimethyl-, chloride",
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    },
    {
      "@value": "Benzenemethanaminium, N,N,N-trimethyl-, chloride (1:1)",
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      }
    },
    {
      "@value": "BTM",
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    {
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      "@value": "Hipochem Migrator J",
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    },
    {
      "@value": "TMBAC",
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    {
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