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benzyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

benzyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

CAS: 415979-31-6

Formula: C14H18N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1CC2CCC(C1)N2

IUPAC: benzyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate

InChI: InChI=1/C14H18N2O2/c17-14(18-10-11-4-2-1-3-5-11)16-8-12-6-7-13(9-16)15-12/h1-5,12-13,15H,6-10H2

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 2
Exact Mass 246.136827828
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KFKJACLLRKRWJE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.13
Topological Polar Surface Area 41.57
Polarizability 27.02
Ring Count 3
Rotatable Bond Count 3

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97% <2 Days 415979-31-6 $201.25-$4,597.70$201.25$286.35$457.70$687.70$1,147.70$4,597.70
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