(R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester Dihydrochloride - CAS 1059704-57-2

Catalog:	BB054817
Product Name:	(R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester Dihydrochloride
CAS:	1059704-57-2
Synonyms:	(3R) -3- Amino- 4- (dimethylamino)-butanoic Acid Phenylmethyl Ester Hydrochloride

Technical Data

IUPAC Name:	benzyl 3-amino-4-(dimethylamino)butanoatedihydrochloride
Description:	(R)-3-Amino-4-dimethylaminobutanoic Acid Benzyl Ester Dihydrochloride is used in the preparation of 4-dimethylaminobutyric acid derivatives as therapeutic carnitine palmitoyl transferase inhibitors.
Molecular Weight:	236.31 + (72.92)
Molecular Formula:	C13H20N2O2·2HCl
Canonical SMILES:	CN(C)CC(CC(=O)OCC1=CC=CC=C1)N.Cl.Cl
InChI:	InChI=1S/C13H20N2O2.2ClH/c1-15(2)9-12(14)8-13(16)17-10-11-6-4-3-5-7-11/h3-7,12H,8-10,14H2,1-2H32*1H
InChI Key:	NGCJFDXSIDJWIR-UHFFFAOYSA-N
References:	Andjelkovic, M., et al. U.S. Pat. Appl. Publ., 22 pp., (2009).

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	308.1058333
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	308.1058333
Rotatable Bond Count:	7
Topological Polar Surface Area:	55.6Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0