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131915-18-9 | Butanamide, 2-amino-3-methyl-N-(2-methylpropyl)-, (2S)-
CAS No: 131915-18-9 Catalog No: AG000ZWU MDL No:
Product Description
Catalog Number:
AG000ZWU
Chemical Name:
Butanamide, 2-amino-3-methyl-N-(2-methylpropyl)-, (2S)-
CAS Number:
131915-18-9
Molecular Formula:
C9H20N2O
Molecular Weight:
172.2679
IUPAC Name:
(2S)-2-amino-3-methyl-N-(2-methylpropyl)butanamide
InChI:
InChI=1S/C9H20N2O/c1-6(2)5-11-9(12)8(10)7(3)4/h6-8H,5,10H2,1-4H3,(H,11,12)/t8-/m0/s1
InChI Key:
GCNQFWALMAHDQL-QMMMGPOBSA-N
SMILES:
CC(CNC(=O)[C@H](C(C)C)N)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
172.158g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.272g/mol
Monoisotopic Mass:
172.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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