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N,3,3-trimethyl-2-[(3-nitropyridin-2-yl)amino]butanamide

N,3,3-trimethyl-2-[(3-nitropyridin-2-yl)amino]butanamide

CAS: 477768-36-8

Formula: C12H18N4O3

SMILES: CNC(=O)C(NC1=C(C=CC=N1)[N+]([O-])=O)C(C)(C)C

IUPAC: N,3,3-trimethyl-2-[(3-nitropyridin-2-yl)amino]butanamide

InChI: InChI=1/C12H18N4O3/c1-12(2,3)9(11(17)13-4)15-10-8(16(18)19)6-5-7-14-10/h5-7,9H,1-4H3,(H,13,17)(H,14,15)

Composition: C (54.12%), H (6.81%), N (21.04%), O (18.02%)

Molar Mass: 266.301

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 266.137890456
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BFWXVCBTFKGWGW-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.42
Topological Polar Surface Area 97.16
Polarizability 26.6
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 477768-36-8 $51.35-$86.31$51.35$63.37$86.31
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