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(2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide

CAS: 70324-66-2

Formula: C12H17N3O3

SMILES: CC[C@H](C)[C@H](N)C(=O)NC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide

InChI: InChI=1S/C12H17N3O3/c1-3-8(2)11(13)12(16)14-9-4-6-10(7-5-9)15(17)18/h4-8,11H,3,13H2,1-2H3,(H,14,16)/t8-,11-/m0/s1

Composition: C (57.36%), H (6.82%), N (16.72%), O (19.10%)

Molar Mass: 251.286

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 251.126991419
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NCCAUSZFESISCS-KWQFWETISA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.69
Topological Polar Surface Area 98.26
Polarizability 25.98
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 70324-66-2 $106.61-$921.15$106.61$252.54$439.88$921.15
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