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1268729-60-7 | D-Valine, N-methyl-, methyl ester, hydrochloride (1:1)
CAS No: 1268729-60-7 Catalog No: AG000TEC MDL No:
Product Description
Catalog Number:
AG000TEC
Chemical Name:
D-Valine, N-methyl-, methyl ester, hydrochloride (1:1)
CAS Number:
1268729-60-7
Molecular Formula:
C7H16ClNO2
Molecular Weight:
181.6604
IUPAC Name:
methyl (2R)-3-methyl-2-(methylamino)butanoate;hydrochloride
InChI:
InChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)7(9)10-4;/h5-6,8H,1-4H3;1H/t6-;/m1./s1
InChI Key:
DLLHGHUMLSLOID-FYZOBXCZSA-N
SMILES:
CN[C@@H](C(=O)OC)C(C)C.Cl
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
181.087g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.66g/mol
Monoisotopic Mass:
181.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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