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Home Aminos 2-(benzylamino)-3-methylbutanoic acid hydrochloride

2-(benzylamino)-3-methylbutanoic acid hydrochloride

CAS No.:
1396964-70-7
Catalog Number:
AG019ULU
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
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Product Description
Catalog Number:
AG019ULU
Chemical Name:
2-(benzylamino)-3-methylbutanoic acid hydrochloride
CAS Number:
1396964-70-7
Molecular Formula:
C12H18ClNO2
Molecular Weight:
243.7298
MDL Number:
MFCD11798843
IUPAC Name:
2-(benzylamino)-3-methylbutanoic acid;hydrochloride
InChI:
InChI=1S/C12H17NO2.ClH/c1-9(2)11(12(14)15)13-8-10-6-4-3-5-7-10;/h3-7,9,11,13H,8H2,1-2H3,(H,14,15);1H
InChI Key:
GOIYSQCOMFAOII-UHFFFAOYSA-N
SMILES:
CC(C(C(=O)O)NCc1ccccc1)C.Cl
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
243.731g/mol
Monoisotopic Mass:
243.103g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties