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1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

CAS: 1691319

Formula: C7H16Cl2N2

SMILES: Cl.Cl.NC1CN2CCC1CC2

IUPAC: 1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

InChI: InChI=1/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H

Composition: C (42.22%), H (8.10%), Cl (35.61%), N (14.07%)

Molar Mass: 199.12

Atom Count: 27

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 198.0690539
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey STZHBULOYDCZET-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 37.89
Topological Polar Surface Area 29.26
Polarizability 15.23
Ring Count 2
Rotatable Bond Count 0

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