Basic information
- CAS
123312-54-9- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.O=S(=O)([O-])O- InChIKey
DYJCDOZDBMRUEB-UHFFFAOYSA-M- Molecular formula
- C38H80N.HO4S
- Average molar mass
- 648.1 g/mol
- Monoisotopic mass
- 647.58863107
Names & identifiers
- Preferred name
- 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
- IUPAC
- dimethyl(dioctadecyl)azanium;hydrogen sulfate
Names & synonyms
123312-54-91-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)Distearyldimethylammonium bisulfateDTXSID60891113EC 404-050-8RefChem:76741DTXCID801030361n,n-dimethyl-n-octadecyloctadecan-1-aminium hydrogen sulfatedimethyl(dioctadecyl)azanium;hydrogen sulfateSCHEMBL711965N,N-dimethyl-N,N-dioctadecylammonium hydrogen sulfatedistearyl dimethyl ammonium bisulfate
Database identifiers
- CAS
123312-54-9- PubChem CID
- 93545
- DTXSID
DTXSID60891113- EC Number
- 404-050-8
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 34
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 466
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9329
Other Safety InformationIMAP assessments - Mono- and di-alkyl quaternary ammonium surfactants: Environment tier II assessment
Hazard Classes and Categories
Eye Irrit. 2 (100%)
Eye irritation - category 2
Eye Irrit. 2
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, sulfate (1:1): ACTIVE
Related reactions
3 records
Compound notes
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