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Details

Stereochemistry ACHIRAL
Molecular Formula C25H53N2O2.Cl
Molecular Weight 449.154
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-HYDROXYETHYL)DIMETHYL(3-STEARAMIDOPROPYL)AMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO

InChI

InChIKey=ZFPJLSHASOGDBD-UHFFFAOYSA-N
InChI=1S/C25H52N2O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)26-21-19-22-27(2,3)23-24-28;/h28H,4-24H2,1-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C25H52N2O2
Molecular Weight 412.6926
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:53:09 GMT 2023
Edited
by admin
on Sat Dec 16 01:53:09 GMT 2023
Record UNII
I950C9380S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-HYDROXYETHYL)DIMETHYL(3-STEARAMIDOPROPYL)AMMONIUM CHLORIDE
Systematic Name English
1-PROPANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-((1-OXOOCTADECYL)AMINO)-, CHLORIDE
Systematic Name English
1-PROPANAMINIUM, N-(2-HYDROXYETHYL)-N,N-DIMETHYL-3-((1-OXOOCTADECYL)AMINO)-, CHLORIDE (1:1)
Systematic Name English
AMMONIUM, (2-HYDROXYETHYL)DIMETHYL(3-STEARAMIDOPROPYL)-, CHLORIDE
Systematic Name English
(STEARAMIDOPROPYL)DIMETHYL(HYDROXYETHYL)AMMONIUM CHLORIDE
Systematic Name English
DIMETHYL(HYDROXYETHYL)(STEAROYLAMIDOPROPYL)AMMONIUM CHLORIDE
Common Name English
2-HYDROXYETHYL-N,N-DIMETHYL-(3-(OCTADECANOYLAMINO)PROPYL)AMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80949342
Created by admin on Sat Dec 16 01:53:09 GMT 2023 , Edited by admin on Sat Dec 16 01:53:09 GMT 2023
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FDA UNII
I950C9380S
Created by admin on Sat Dec 16 01:53:09 GMT 2023 , Edited by admin on Sat Dec 16 01:53:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
220-160-7
Created by admin on Sat Dec 16 01:53:09 GMT 2023 , Edited by admin on Sat Dec 16 01:53:09 GMT 2023
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CAS
2646-11-9
Created by admin on Sat Dec 16 01:53:09 GMT 2023 , Edited by admin on Sat Dec 16 01:53:09 GMT 2023
PRIMARY
PUBCHEM
3014116
Created by admin on Sat Dec 16 01:53:09 GMT 2023 , Edited by admin on Sat Dec 16 01:53:09 GMT 2023
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