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tert-butyl 3-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate

Formula: C14H20N4O4

SMILES: CC(C)(C)OC(=O)N1CCC(C1)NC1=C(C=CC=N1)[N+]([O-])=O

IUPAC: tert-butyl 3-[(3-nitropyridin-2-yl)amino]pyrrolidine-1-carboxylate

InChI: InChI=1/C14H20N4O4/c1-14(2,3)22-13(19)17-8-6-10(9-17)16-12-11(18(20)21)5-4-7-15-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,15,16)

Composition: C (54.54%), H (6.54%), N (18.17%), O (20.76%)

Molar Mass: 308.338

Atom Count: 42

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 308.14845514
Formal Charge 0
FSP3 0.57
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey ILLSIIVHFYOOJM-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.01
Topological Polar Surface Area 97.6
Polarizability 30.28
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Days
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H20N4O4 Quote Only
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C14H20N4O4 Quote Only