Home Aminos Benzenepropanoic acid, b-amino-3,4-dimethoxy-, methyl ester,hydrochloride

Benzenepropanoic acid, b-amino-3,4-dimethoxy-, methyl ester,hydrochloride

CAS No.:
34841-03-7
Catalog Number:
AG019PBH
Molecular Formula:
C12H18ClNO4
Molecular Weight:
275.7286
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Product Description
Catalog Number:
AG019PBH
Chemical Name:
Benzenepropanoic acid, b-amino-3,4-dimethoxy-, methyl ester,hydrochloride
CAS Number:
34841-03-7
Molecular Formula:
C12H18ClNO4
Molecular Weight:
275.7286
MDL Number:
MFCD06740360
IUPAC Name:
methyl 3-amino-3-(3,4-dimethoxyphenyl)propanoate;hydrochloride
InChI:
InChI=1S/C12H17NO4.ClH/c1-15-10-5-4-8(6-11(10)16-2)9(13)7-12(14)17-3;/h4-6,9H,7,13H2,1-3H3;1H
InChI Key:
VQJYRSLAXYCOFG-UHFFFAOYSA-N
SMILES:
COC(=O)CC(c1ccc(c(c1)OC)OC)N.Cl
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.092g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.729g/mol
Monoisotopic Mass:
275.092g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties