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2-methyl-2-[(3-nitropyridin-2-yl)amino]propan-1-ol

2-methyl-2-[(3-nitropyridin-2-yl)amino]propan-1-ol

CAS: 664972-87-6

Formula: C9H13N3O3

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

IUPAC: 2-methyl-2-[(3-nitropyridin-2-yl)amino]propan-1-ol

InChI: InChI=1S/C9H13N3O3/c1-9(2,6-13)11-8-7(12(14)15)4-3-5-10-8/h3-5,13H,6H2,1-2H3,(H,10,11)

Composition: C (51.18%), H (6.20%), N (19.89%), O (22.72%)

Molar Mass: 211.221

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.095691291
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey SMQDTERAAKSETI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.08
Topological Polar Surface Area 88.29
Polarizability 20.49
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 664972-87-6 $28.75-$1,629.55$28.75$116.15$189.75$292.10$465.75$1,629.55
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