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tert-butyl (1S,6R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

tert-butyl (1S,6R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

CAS: 1356090-66-8

Formula: C12H22N2O2

SMILES: CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CNCC2

IUPAC: tert-butyl (1S,6R)-3,9-diazabicyclo[4.2.1]nonane-9-carboxylate

InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)8-13-7-6-9/h9-10,13H,4-8H2,1-3H3/t9-,10+/m1/s1

Composition: C (63.69%), H (9.80%), N (12.38%), O (14.14%)

Molar Mass: 226.32

Atom Count: 38

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 226.168127956
Formal Charge 0
FSP3 0.92
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IDJDDPDWYRVJPF-ZJUUUORDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.19
Topological Polar Surface Area 41.57
Polarizability 24.81
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1356090-66-8 $285.20-$3,248.75$285.20$3,248.75
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