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177721-72-1 | L-Valine, N-(phenylmethyl)-, methyl ester, hydrochloride (9CI)
CAS No: 177721-72-1 Catalog No: AG0025HF MDL No:MFCD02684386
Product Description
Catalog Number:
AG0025HF
Chemical Name:
L-Valine, N-(phenylmethyl)-, methyl ester, hydrochloride (9CI)
CAS Number:
177721-72-1
Molecular Formula:
C13H20ClNO2
Molecular Weight:
257.7564
MDL Number:
MFCD02684386
IUPAC Name:
methyl (2S)-2-(benzylamino)-3-methylbutanoate;hydrochloride
InChI:
InChI=1S/C13H19NO2.ClH/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11;/h4-8,10,12,14H,9H2,1-3H3;1H/t12-;/m0./s1
InChI Key:
WCFZNEINMPTYRU-YDALLXLXSA-N
SMILES:
COC(=O)[C@H](C(C)C)NCc1ccccc1.Cl
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
257.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.758g/mol
Monoisotopic Mass:
257.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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