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18944-00-8 | L-Valine, N-methyl-, hydrochloride (1:1)
CAS No: 18944-00-8 Catalog No: AG002DOF MDL No:MFCD00754495
Product Description
Catalog Number:
AG002DOF
Chemical Name:
L-Valine, N-methyl-, hydrochloride (1:1)
CAS Number:
18944-00-8
Molecular Formula:
C6H14ClNO2
Molecular Weight:
167.6339
MDL Number:
MFCD00754495
IUPAC Name:
(2S)-3-methyl-2-(methylamino)butanoic acid;hydrochloride
InChI:
InChI=1S/C6H13NO2.ClH/c1-4(2)5(7-3)6(8)9;/h4-5,7H,1-3H3,(H,8,9);1H/t5-;/m0./s1
InChI Key:
LLAKGSVMNLYWAQ-JEDNCBNOSA-N
SMILES:
CN[C@H](C(=O)O)C(C)C.Cl
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.071g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
167.633g/mol
Monoisotopic Mass:
167.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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