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tert-butyl (1S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 207405-68-3

Formula: C12H22N2O2

SMILES: [H][C@]12CC[C@@]([H])(CC(N)C1)N2C(=O)OC(C)(C)C

IUPAC: tert-butyl (1S,5S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3/t9-,10-/m0/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 NZJKEPNCNBWESN-UWVGGRQHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.95
Topological Polar Surface Area 55.56
Polarizability 24.81
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 207405-68-3 $480.00-$850.00$480.00$702.00$850.00
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