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Home Halogens Benzenepropanoic acid, b-(aminomethyl)-4-chloro-, hydrochloride

Benzenepropanoic acid, b-(aminomethyl)-4-chloro-, hydrochloride

CAS No.:
28311-31-1
Catalog Number:
AG01B28A
Molecular Formula:
C10H13Cl2NO2
Molecular Weight:
250.1217
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Product Description
Catalog Number:
AG01B28A
Chemical Name:
Benzenepropanoic acid, b-(aminomethyl)-4-chloro-, hydrochloride
CAS Number:
28311-31-1
Molecular Formula:
C10H13Cl2NO2
Molecular Weight:
250.1217
IUPAC Name:
4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
InChI:
InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H
InChI Key:
WMNUVYYLMCMHLU-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)Cl)CC(=O)O.Cl
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
250.119g/mol
Monoisotopic Mass:
249.032g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties