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(1R,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one

(1R,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one

CAS: 83507-33-9

Formula: C14H17NO

SMILES: O=C1[C@H]2CC[C@@H]1CN(CC1=CC=CC=C1)C2

IUPAC: (1R,5S)-3-benzyl-3-azabicyclo[3.2.1]octan-8-one

InChI: InChI=1S/C14H17NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+

Composition: C (78.10%), H (7.96%), N (6.51%), O (7.43%)

Molar Mass: 215.296

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 215.131014171
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DCDAOVIVXGHHHU-BETUJISGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.42
Topological Polar Surface Area 20.31
Polarizability 25.21
Ring Count 3
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 83507-33-9 $4.68-$56.10$4.68$4.68$4.68$12.16$23.38$56.10
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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 83507-33-9 $58.65-$576.15$58.65$186.30$576.15
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