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ethyl 7-[(tert-butoxycarbonyl)amino]-9-azabicyclo[3.3.1]nonane-3-carboxylate

ethyl 7-[(tert-butoxycarbonyl)amino]-9-azabicyclo[3.3.1]nonane-3-carboxylate

CAS: 1363380-89-5

Formula: C16H28N2O4

SMILES: CCOC(=O)C1CC2CC(CC(C1)N2)NC(=O)OC(C)(C)C

IUPAC: ethyl 7-{[(tert-butoxy)carbonyl]amino}-9-azabicyclo[3.3.1]nonane-3-carboxylate

InChI: InChI=1/C16H28N2O4/c1-5-21-14(19)10-6-11-8-13(9-12(7-10)17-11)18-15(20)22-16(2,3)4/h10-13,17H,5-9H2,1-4H3,(H,18,20)

Composition: C (61.51%), H (9.03%), N (8.97%), O (20.48%)

Molar Mass: 312.41

Atom Count: 50

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 312.20490739
Formal Charge 0
FSP3 0.87
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CJVDJLFJSOWZOU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.19
Topological Polar Surface Area 76.66
Polarizability 32.97
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1363380-89-5 $351.82-$967.19$351.82$580.06$967.19
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