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874618-93-6 | Benzamide, N-[(2S)-2-amino-3-methylbutyl]-4-methyl-
CAS No: 874618-93-6 Catalog No: AG004HGZ MDL No:
Product Description
Catalog Number:
AG004HGZ
Chemical Name:
Benzamide, N-[(2S)-2-amino-3-methylbutyl]-4-methyl-
CAS Number:
874618-93-6
Molecular Formula:
C13H20N2O
Molecular Weight:
220.3107
IUPAC Name:
N-[(2S)-2-amino-3-methylbutyl]-4-methylbenzamide
InChI:
InChI=1S/C13H20N2O/c1-9(2)12(14)8-15-13(16)11-6-4-10(3)5-7-11/h4-7,9,12H,8,14H2,1-3H3,(H,15,16)/t12-/m1/s1
InChI Key:
LTTAZXIRUVURMO-GFCCVEGCSA-N
SMILES:
CC([C@@H](CNC(=O)c1ccc(cc1)C)N)C
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
220.158g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.316g/mol
Monoisotopic Mass:
220.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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