Basic information
- CAS
15461-40-2- Standard SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)C- InChIKey
PDSVZUAJOIQXRK-UHFFFAOYSA-N- Molecular formula
- C21H46N+
- Average molar mass
- 312.6 g/mol
- Monoisotopic mass
- 312.36302547
Overview
cationic detergent; RN given refers to parent cpd
Names & identifiers
- Preferred name
- Stearyltrimethylammonium
- IUPAC
- trimethyl(octadecyl)azanium
Names & synonyms
StearyltrimethylammoniumStma-C15461-40-2DJ0M4HZY00N,N,N-Trimethyloctadecan-1-aminiumRefChem:185433stearyltrimethylammonium monomesylateCHEMBL109458UNII-DJ0M4HZY00SCHEMBL48999CHEMBL1179998DTXSID8048078
Show more names
BDBM50147563Trimethyl-octadecyl-ammonium; bromide1-Octadecanaminium, N,N,N-trimethyl-NCGC00248615-01NS00005124Alkyl trimethyl ammonium compound C18 (ATMAC C18)
Database identifiers
- CAS
15461-40-2- PubChem CID
- 8156
- DTXSID
DTXSID8048078- ChEMBL
CHEMBL109458、CHEMBL1179998- UNII
- DJ0M4HZY00
- Nikkaji
- J221.254D
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 204
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section200.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1026902]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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