Basic information
- CAS
10182-91-9- Standard SMILES
CCCCCCCCCCCC[N+](C)(C)C- InChIKey
VICYBMUVWHJEFT-UHFFFAOYSA-N- Molecular formula
- C15H34N+
- Average molar mass
- 228.44 g/mol
- Monoisotopic mass
- 228.26912509
Overview
Dodecyltrimethylammonium ion is a quaternary ammonium ion.
Names & identifiers
- Preferred name
- Dodecyltrimethylammonium
- IUPAC
- dodecyl(trimethyl)azanium
- English name
- dodecyltrimethylammonium
- Molecular formula
- C15H34N+
- Molecular weight
- 228.44
Names & synonyms
Dodecyltrimethylammoniumn-DodecyltrimethylammoniumDotac compoundDODECANE-TRIMETHYLAMINE10182-91-9N,N,N-trimethyldodecan-1-aminiumLaurtrimoniumN,N,N-Trimethyl-1-dodecanaminiumDODECYLTRIMETHYLAMMONIUM IONdodecyl-trimethyl-azanium1-Dodecanaminium, N,N,N-trimethyl-GT3793XV5S
Show more names
DodecyltrimethylaminiumDodecyl-trimethylaminiumTrimethyl(dodecyl)aminium
CHEBI:41378dodecyltrimethylazaniumDTMACl cpdRefChem:135540C12QACC12TACC(12)TACdodecyl trimethylammonium chloride
Database identifiers
- CAS
10182-91-9- PubChem CID
- 8153
- DTXSID
DTXSID4045008- ChEMBL
CHEMBL109873、CHEMBL1180004- ChEBI
CHEBI:41378- UNII
- GT3793XV5S
- Nikkaji
- J209.396K
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 11
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 135
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section175.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1026900]
Physicochemical properties
- FDA UNII
- 3793 XV5S · GT3793XV5S
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
Suppliers3 total
山东中图化工有限公司17864755731 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Additional notes
DefinitionChEBI: A quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.
Related reactions
1 records
Compound notes
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