dodecyltrimethyl ammonium chloride

General Information

Mainterm	dodecyltrimethyl ammonium chloride
CAS Reg.No.(or other ID)	112-00-5
Regnum

From www.fda.gov

Computed Descriptors

2D Structure
CID	8152
IUPAC Name	dodecyl(trimethyl)azanium;chloride
InChI	InChI=1S/C15H34N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
InChI Key	DDXLVDQZPFLQMZ-UHFFFAOYSA-M
Canonical SMILES	CCCCCCCCCCCC[N+](C)(C)C.[Cl-]
Molecular Formula	C15H34ClN
Wikipedia	laurtrimonium chloride

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	263.894
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	11
Complexity	135.0
CACTVS Substructure Key Fingerprint	A A A D c f B y A A A E A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A H A A A A A A A C A D B A A Q C A A M A A A A A A A A A A A A A A A A A A A A A A A A I A A A A A A I A g A A E A A A A A A A A A A E Q g I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	0.0
Monoisotopic Mass	263.238
Exact Mass	263.238
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	17
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Not available
Direct Parent	Tetraalkylammonium salts
Alternative Parents	Organic chloride salts Organopnictogen compounds Hydrocarbon derivatives Amines
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tetraalkylammonium salt - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as tetraalkylammonium salts. These are organonitrogen compounds containing a quaternary ammonium substituted with four alkyl chains.

From ClassyFire