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tert-butyl 6-(dibenzylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate

tert-butyl 6-(dibenzylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate

Formula: C25H32N2O2

SMILES: CC(C)(C)OC(=O)N1CC2CC(C2C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1

IUPAC: tert-butyl 6-(dibenzylamino)-3-azabicyclo[3.2.0]heptane-3-carboxylate

InChI: InChI=1/C25H32N2O2/c1-25(2,3)29-24(28)27-17-21-14-23(22(21)18-27)26(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,21-23H,14-18H2,1-3H3

Composition: C (76.49%), H (8.22%), N (7.14%), O (8.15%)

Molar Mass: 392.543

Atom Count: 61

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 392.246378278
Formal Charge 0
FSP3 0.48
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZURLNOYOJQYMFZ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.89
Topological Polar Surface Area 32.78
Polarizability 45.85
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C25H32N2O2 $353.81-$1,238.33$353.81$619.16$1,238.33
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