N,N-BIS(2-HYDROXYETHYL)-N-(CARBOXYMETHYL) OCTADECANAMINUM HYDROXIDE(INNER SALT)

Mainterm	N,N-BIS(2-HYDROXYETHYL)-N-(CARBOXYMETHYL) OCTADECANAMINUM HYDROXIDE(INNER SALT)
CAS Reg.No.(or other ID)	24170-14-7
Regnum	178.3130

From www.fda.gov

2D Structure
CID	90380
IUPAC Name	2-[bis(2-hydroxyethyl)-octadecylazaniumyl]acetate
InChI	InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26,20-22-27)23-24(28)29/h26-27H,2-23H2,1H3
InChI Key	QEJSCTLHIOVBLH-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC(=O)[O-]
Molecular Formula	C24H49NO4
Wikipedia	dihydroxyethyl stearyl glycinate

From Pubchem

Property Name	Property Value
Molecular Weight	415.659
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	22
Complexity	351.0
CACTVS Substructure Key Fingerprint	A A A D c f B 6 O 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 A A H g A A C A A A C A D h g A Y C C A M A A g A I A A C Q C A A A A A A A A A A A A A C I A A A C E A I A g C A E A A A A A A C Q 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	80.6
Monoisotopic Mass	415.366
Exact Mass	415.366
XLogP3	None
XLogP3-AA	8.0
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	29
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	1

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Alpha amino acids
Alternative Parents	Organopnictogen compounds 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Hydrocarbon derivatives Organic oxides Tetraalkylammonium salts Carbonyl compounds Organic salts Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-amino acid - Tetraalkylammonium salt - Quaternary ammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Alkanolamine - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).

General Information