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tert-butyl (1R,5S,6S)-6-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,5S,6S)-6-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS: 1648868-97-6

Formula: C12H21NO3

SMILES: CC(C)(C)OC(=O)N1C[C@H]2[C@H](CCO)[C@H]2C1

IUPAC: tert-butyl (1R,5S,6S)-6-(2-hydroxyethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChI: InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-9-8(4-5-14)10(9)7-13/h8-10,14H,4-7H2,1-3H3/t8-,9-,10+

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 227.15214354
Formal Charge 0
FSP3 0.92
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SSIJALKTEBLKKA-OWUUHHOZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.85
Topological Polar Surface Area 49.77
Polarizability 23.92
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1648868-97-6 $155.10-$767.95$155.10$298.86$496.83$767.95
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