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ethyl (1R,2S,5R)-6-azabicyclo[3.1.1]heptane-2-carboxylate

ethyl (1R,2S,5R)-6-azabicyclo[3.1.1]heptane-2-carboxylate

CAS: 2387535-12-6

Formula: C9H15NO2

SMILES: CCOC(=O)[C@H]1CC[C@@H]2C[C@H]1N2

IUPAC: ethyl (1R,2S,5R)-6-azabicyclo[3.1.1]heptane-2-carboxylate

InChI: InChI=1S/C9H15NO2/c1-2-12-9(11)7-4-3-6-5-8(7)10-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-/m1/s1

Composition: C (63.88%), H (8.93%), N (8.28%), O (18.91%)

Molar Mass: 169.224

Atom Count: 27

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 169.110278727
Formal Charge 0
FSP3 0.89
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MCULFXFGGYCJBU-GJMOJQLCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.68
Topological Polar Surface Area 38.33
Polarizability 18.15
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2387535-12-6 $457.70-$3,082.00$457.70$687.70$1,133.90$1,932.00$3,082.00$11,497.70
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