Consensus flow list

N-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium Hydroxide

fo-bbbda16512b52e2c

Identity

Type
Zwitterion
CAS
19223-55-3
EC
242-893-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for N-[3-(dodecanoylamino)propyl]-2-hydroxy-n,n-dimethyl-3-sulfopropan-1-aminium Hydroxide

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IXOCGRPBILEGOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H40N2O5S/c1-4-5-6-7-8-9-10-11-12-13-19(23)20-14-15-21(2,3)16-18(22)17-27(24,25)26/h18,22H,4-17H2,1-3H3,(H-,20,23,24,25,26)
IUPAC name chemrof:IUPAC_name 3-[(Lauramidoethyl)dimethylammonio]-2-hydroxypropanesulfonate
Molecular formula chemrof:molecular_formula C20H42N2O5S
Molecular mass chemrof:molecular_mass 422.632
Monoisotopic mass chemrof:monoisotopic_mass 422.281443
SMILES string chemrof:smiles_string CCCCCCCCCCCC(=O)NCC[N+](C)(C)CC(O)CS(=O)(=O)[O-]

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=19223-55-3 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.038.978 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40893392 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VPE363894V enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J422.036F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/83841 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1667211 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27291950 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
990dec51-5056-4f64-bb0b-b37415d61501 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
8b5cbfa0-21bc-4eb2-a7e4-3162f18682fd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d70f2627-6af7-4c43-878a-01868dcaf983 Environmental → Air → Indoor EF 3.1 kg 4
fe5c5e74-3b0f-4fb8-b442-76850e88af2d Environmental → Air → Long-term EF 3.1 kg 0
52137438-8800-4784-aa9f-71bae13d7083 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0135bb96-17b0-422f-8372-6587dafcf504 Environmental → Air → Unknown EF 3.1 kg 4
46aa499f-5125-4a7d-b16b-4172d7f97e34 Environmental → Ground → Agricultural EF 3.1 kg 4
a10f2fd8-921a-45a4-8ec2-581f83389e43 Environmental → Ground → Non-agricultural EF 3.1 kg 4
edd4a4f4-117a-49f7-9397-75f4a2027bb8 Environmental → Ground → Unknown EF 3.1 kg 4
e80e3ec1-06e2-40c5-a20a-023900a5d70b Environmental → Water → Long-term EF 3.1 kg 0
3fb49c06-f1ea-4485-b863-3c17d3ed8a46 Environmental → Water → Ocean EF 3.1 kg 4
fe071d68-de61-41bb-84d8-7b6d2e7326e4 Environmental → Water → Surface water EF 3.1 kg 4
1ac64597-df60-4d80-8e69-6bfd1dab31c9 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 
{
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  "altLabel": [
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      "@value": "1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, hydroxide, inner salt",
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      "@value": "1-Propanaminium, 2-hydroxy-N,N-dimethyl-N-[3-[(1-oxododecyl)amino]propyl]-3-sulfo-, inner salt",
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      "@value": "Ammonium, (2-hydroxy-3-sulfopropyl)(3-lauramidopropyl)dimethyl-, hydroxide, inner salt",
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