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N-(2-methylpropyl)-3-nitropyridin-2-amine

N-(2-methylpropyl)-3-nitropyridin-2-amine

CAS: 942356-83-4

Formula: C9H13N3O2

SMILES: CC(C)CNC1=C(C=CC=N1)[N+]([O-])=O

IUPAC: N-(2-methylpropyl)-3-nitropyridin-2-amine

InChI: InChI=1S/C9H13N3O2/c1-7(2)6-11-9-8(12(13)14)4-3-5-10-9/h3-5,7H,6H2,1-2H3,(H,10,11)

Composition: C (55.37%), H (6.71%), N (21.52%), O (16.39%)

Molar Mass: 195.222

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 195.100776671
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey QDBSAMWCNGFVKZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.47
Topological Polar Surface Area 68.06
Polarizability 19.83
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 942356-83-4 $28.75-$708.40$28.75$93.15$232.30$581.90$708.40
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