beta-Alanine, 3-phenyl-, isoheptyl ester, hydrochloride, DL- structure

beta-Alanine, 3-phenyl-, isoheptyl ester, hydrochloride, DL-

5-methylhexyl 3-amino-3-phenylpropanoate;hydrochloride

Also Known As: DL-3-Phenyl-beta-alanine isoheptyl ester hydrochloride|beta-Alanine, 3-phenyl-, isoheptyl ester, hydrochloride, DL-|Benzenepropanoic acid, beta-amino-, 5-methylhexyl ester, hydrochloride, (+-)-|5-methylhexyl 3-amino-3-phenylpropanoate hydrochloride|5-methylhexyl 3-amino-3-phenylpropanoate,hydrochloride|5-Methylhexyl 3-amino-3-phenylpropanoate--hydrogen chloride (1/1)

CAS: 87252-97-9
Molecular Formula C16H26ClNO2
Molecular Weight 299.1652 g/mol
LogP 3.8678
Topological Polar Surface Area 52.32 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
Rotatable Bonds 8
Exact Mass 299.1652
Monoisotopic Mass 299.1652
Heavy Atoms 20
Complexity 367.99945

Chemical Identifiers

CAS Number 87252-97-9
SMILES CC(C)CCCCOC(=O)CC(C1=CC=CC=C1)N.Cl

Product Overview

beta-Alanine, 3-phenyl-, isoheptyl ester, hydrochloride, DL- (CAS 87252-97-9), with molecular formula C16H26ClNO2 and molecular weight 299.1652 g/mol. IUPAC: 5-methylhexyl 3-amino-3-phenylpropanoate;hydrochloride.

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