Home Aminos 2-{[(3-fluorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride

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

CAS No.:
1396964-92-3
Catalog Number:
AG019UN0
Molecular Formula:
C12H17ClFNO2
Molecular Weight:
261.7203
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Product Description
Catalog Number:
AG019UN0
Chemical Name:
2-{[(3-fluorophenyl)methyl]amino}-3-methylbutanoic acid hydrochloride
CAS Number:
1396964-92-3
Molecular Formula:
C12H17ClFNO2
Molecular Weight:
261.7203
MDL Number:
MFCD11798840
IUPAC Name:
2-[(3-fluorophenyl)methylamino]-3-methylbutanoic acid;hydrochloride
InChI:
InChI=1S/C12H16FNO2.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:
JTVBRWPYGVPFDI-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NCc1cccc(c1)F)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:
261.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
261.721g/mol
Monoisotopic Mass:
261.093g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties