Home Halogens 2-{[(3-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride

2-{[(3-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride

CAS No.:
1396962-45-0
Catalog Number:
AG019WLM
Molecular Formula:
C12H17Cl2NO2
Molecular Weight:
278.1749
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019WLM
Chemical Name:
2-{[(3-chlorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride
CAS Number:
1396962-45-0
Molecular Formula:
C12H17Cl2NO2
Molecular Weight:
278.1749
MDL Number:
MFCD12913095
IUPAC Name:
2-[(3-chlorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
InChI:
InChI=1S/C12H16ClNO2.ClH/c1-8(2)11(12(15)16)14-7-9-4-3-5-10(13)6-9;/h3-6,8,11,14H,7H2,1-2H3,(H,15,16);1H
InChI Key:
XSXBXQVYEMNMCC-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NCc1cccc(c1)Cl)C.Cl
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
278.173g/mol
Monoisotopic Mass:
277.064g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties