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89384-50-9 | D-Alanine, N-methyl-N-(phenylmethyl)-
CAS No: 89384-50-9 Catalog No: AG003WBR MDL No:
Product Description
Catalog Number:
AG003WBR
Chemical Name:
D-Alanine, N-methyl-N-(phenylmethyl)-
CAS Number:
89384-50-9
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
IUPAC Name:
(2R)-2-[benzyl(methyl)amino]propanoic acid
InChI:
InChI=1S/C11H15NO2/c1-9(11(13)14)12(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)/t9-/m1/s1
InChI Key:
YEJHUOTUSORYPX-SECBINFHSA-N
SMILES:
C[C@H](C(=O)O)N(Cc1ccccc1)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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