AMMONIUM LAURYL SULFATE

General Information

Mainterm	AMMONIUM LAURYL SULFATE
CAS Reg.No.(or other ID)	2235-54-3
Regnum	175.105 176.170 177.1200 175.210

From www.fda.gov

Computed Descriptors

2D Structure
CID	16700
IUPAC Name	azanium;dodecyl sulfate
InChI	InChI=1S/C12H26O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;/h2-12H2,1H3,(H,13,14,15);1H3
InChI Key	BTBJBAZGXNKLQC-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCCCCCCOS(=O)(=O)[O-].[NH4+]
Molecular Formula	C12H29NO4S
Wikipedia	ammonium lauryl sulfate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	283.427
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Complexity	230.0
CACTVS Substructure Key Fingerprint	A A A D c e B y O A B 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 A G g A Q A A A A C A C g g A I C A A A A A A A A A A A A A D 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 A A E A A A A A A G A w K 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	75.8
Monoisotopic Mass	283.182
Exact Mass	283.182
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	18
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 acids and derivatives
Class	Organic sulfuric acids and derivatives
Subclass	Sulfuric acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Sulfuric acid monoesters
Alternative Parents	Hydrocarbon derivatives Organic nitrogen compounds Organic oxides Organooxygen compounds Alkyl sulfates Organic salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).

From ClassyFire