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16010-98-3 | Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, hydrochloride (1:1), (2S)-
CAS No: 16010-98-3 Catalog No: AG001ROL MDL No:MFCD00058248
Product Description
Catalog Number:
AG001ROL
Chemical Name:
Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, hydrochloride (1:1), (2S)-
CAS Number:
16010-98-3
Molecular Formula:
C12H18ClN3O3
Molecular Weight:
287.7426
MDL Number:
MFCD00058248
IUPAC Name:
(2S)-2-amino-4-methyl-N-(4-nitrophenyl)pentanamide;hydrochloride
InChI:
InChI=1S/C12H17N3O3.ClH/c1-8(2)7-11(13)12(16)14-9-3-5-10(6-4-9)15(17)18;/h3-6,8,11H,7,13H2,1-2H3,(H,14,16);1H/t11-;/m0./s1
InChI Key:
PFOYXOWPGRWPLS-MERQFXBCSA-N
SMILES:
N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC(C)C.Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
287.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.744g/mol
Monoisotopic Mass:
287.104g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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