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tert-butyl 3-benzyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

tert-butyl 3-benzyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

CAS: 869494-15-5

Formula: C17H24N2O2

SMILES: CC(C)(C)OC(=O)N1C2CC1CN(CC1=CC=CC=C1)C2

IUPAC: tert-butyl 3-benzyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate

InChI: InChI=1/C17H24N2O2/c1-17(2,3)21-16(20)19-14-9-15(19)12-18(11-14)10-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3

Composition: C (70.80%), H (8.39%), N (9.71%), O (11.10%)

Molar Mass: 288.391

Atom Count: 45

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 288.183778021
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IIJSJGFJIACTJF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.59
Topological Polar Surface Area 32.78
Polarizability 32.55
Ring Count 3
Rotatable Bond Count 4

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97% <7 Days 869494-15-5 $118.75-$3,078.02$118.75$137.45$187.00$249.65$810.65$1,402.50$3,078.02
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