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scopine hydrochloride

scopine hydrochloride

CAS: 85700-55-6

Formula: C8H14ClNO2

SMILES: Cl.[H][C@]12CC(O)C[C@]([H])([C@H]3O[C@@H]13)N2C

IUPAC: (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,⁴]nonan-7-ol hydrochloride

InChI: InChI=1S/C8H13NO2.ClH/c1-9-5-2-4(10)3-6(9)8-7(5)11-8;/h4-8,10H,2-3H2,1H3;1H/t4?,5-,6+,7-,8+;

Composition: C (50.14%), H (7.36%), Cl (18.50%), N (7.31%), O (16.70%)

Molar Mass: 191.66

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 191.0713064
Formal Charge 0
FSP3 1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BBBRAOXIMQHVCR-QYRWGYAXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.5
Topological Polar Surface Area 36
Polarizability 16.14
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS UnitPrice
99% <10 Days 85700-55-6 Quote Only