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benzyl N-{4-aminobicyclo[2.1.1]hexan-1-yl}carbamate

benzyl N-{4-aminobicyclo[2.1.1]hexan-1-yl}carbamate

CAS: 1354951-84-0

Formula: C14H18N2O2

SMILES: NC12CC(C1)(CC2)NC(=O)OCC1=CC=CC=C1

IUPAC: benzyl N-{4-aminobicyclo[2.1.1]hexan-1-yl}carbamate

InChI: InChI=1S/C14H18N2O2/c15-13-6-7-14(9-13,10-13)16-12(17)18-8-11-4-2-1-3-5-11/h1-5H,6-10,15H2,(H,16,17)

Composition: C (68.27%), H (7.37%), N (11.37%), O (12.99%)

Molar Mass: 246.31

Atom Count: 36

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 246.136827828
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey MDCFKGUNYKIYRE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.97
Topological Polar Surface Area 64.35
Polarizability 27.02
Ring Count 3
Rotatable Bond Count 4

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