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1012059-97-0 | ButanaMide, 3-aMino-N-Methyl-4-(phenylthio)-, (3R)-
CAS No: 1012059-97-0 Catalog No: AG0003Z0 MDL No:
Product Description
Catalog Number:
AG0003Z0
Chemical Name:
ButanaMide, 3-aMino-N-Methyl-4-(phenylthio)-, (3R)-
CAS Number:
1012059-97-0
Molecular Formula:
C11H16N2OS
Molecular Weight:
224.3225
IUPAC Name:
(3R)-3-amino-N-methyl-4-phenylsulfanylbutanamide
InChI:
InChI=1S/C11H16N2OS/c1-13-11(14)7-9(12)8-15-10-5-3-2-4-6-10/h2-6,9H,7-8,12H2,1H3,(H,13,14)/t9-/m1/s1
InChI Key:
OQSHJQHCQMTMAA-SECBINFHSA-N
SMILES:
CNC(=O)C[C@H](CSc1ccccc1)N
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.098g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.322g/mol
Monoisotopic Mass:
224.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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