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(1R)-1-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1-(6-methoxyquinolin-4-yl)methanamine trihydrochloride

(1R)-1-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1-(6-methoxyquinolin-4-yl)methanamine trihydrochloride

CAS: 1391506-12-9

Formula: C20H28Cl3N3O

SMILES: Cl.Cl.Cl.[H][C@@]12CCN(C[C@@H]1C=C)[C@]([H])(C2)[C@H](N)C1=CC=NC2=CC=C(OC)C=C12

IUPAC: (1R)-1-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1-(6-methoxyquinolin-4-yl)methanamine trihydrochloride

InChI: InChI=1S/C20H25N3O.3ClH/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18;;;/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3;3*1H/t13-,14-,19+,20+;;;/m0.../s1

Composition: C (55.50%), H (6.52%), Cl (24.57%), N (9.71%), O (3.70%)

Molar Mass: 432.81

Atom Count: 55

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 431.1297956
Formal Charge 0
FSP3 0.45
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GZXDEKGNTLNSGM-NJXLIEGQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.35
Topological Polar Surface Area 51.38
Polarizability 39.3
Ring Count 4
Rotatable Bond Count 4

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 1391506-12-9 $1,000.00-$1,900.00$1,000.00$1,900.00
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