Consensus flow list

Identity

Type
Chemical salt
CAS
10595-49-0
EC
234-204-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium Methyl Sulfate

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LTERAWRIKDPXBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H38N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-15-18(21)19-16-14-17-20(2,3)4;1-5-6(2,3)4/h5-17H2,1-4H3;1H3,(H,2,3,4)
IUPAC name chemrof:IUPAC_name (3-Lauramidopropyl)trimethylammonium methyl sulfate
Molecular formula chemrof:molecular_formula C19H42N2O5S
Molecular mass chemrof:molecular_mass 410.621
Monoisotopic mass chemrof:monoisotopic_mass 410.281443
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.COS(=O)(=O)[O-]

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=10595-49-0 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.083 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90884497 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2ZA5BFB6WJ enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/160947 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27255852 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e6d1f58e-6389-48a4-b661-1f6f3305be73 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
72416bfb-0534-4a5a-be40-8192eedbf519 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
41755ce6-bbcc-43f0-ab48-c76b235182ff Environmental → Air → Indoor EF 3.1 kg 4
735195dc-5d95-4d8d-b085-2955c965b283 Environmental → Air → Long-term EF 3.1 kg 0
886e7753-a6f1-4a93-9cbe-e17b86fea45f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
32d81878-deef-4577-9b16-285cff6bc715 Environmental → Air → Unknown EF 3.1 kg 4
52dea967-3444-45f1-8b0b-73f7194c93a0 Environmental → Ground → Agricultural EF 3.1 kg 4
e45556ed-8903-4f89-8296-92f4789ab2cf Environmental → Ground → Non-agricultural EF 3.1 kg 4
29c739f1-03a1-49a6-8b12-c00807030dda Environmental → Ground → Unknown EF 3.1 kg 4
d2a5cfde-a8d7-405f-ae89-081aef84914f Environmental → Water → Long-term EF 3.1 kg 0
51fa12a8-efac-4fa6-82f0-5b71f1446b6c Environmental → Water → Ocean EF 3.1 kg 4
0f26a838-6599-4ee8-9deb-8ca2ae46b2fd Environmental → Water → Surface water EF 3.1 kg 4
674a24f5-3639-4539-b16c-8aa741914511 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-479d38ca66754e76",
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      "@value": "3-(dodecanoylamino)-n,n,n-trimethylpropan-1-aminium Methyl Sulfate",
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  ],
  "altLabel": [
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanaminium, N,N,N-trimethyl-3-[(1-oxododecyl)amino]-, methyl sulfate",
      "@language": "en",
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      }
    },
    {
      "@value": "1-Propanaminium, N,N,N-trimethyl-3-[(1-oxododecyl)amino]-, methyl sulfate (1:1)",
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    {
      "@value": "[3-(Lauroylamino)propyl]trimethylammonium methyl sulfate",
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