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N-({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)adamantan-1-aminium chloride

N-({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)adamantan-1-aminium chloride

CAS: 1029989-47-6

Formula: C18H23Cl2N3

SMILES: [Cl-].ClC1=CN2C(C[NH2+]C34CC5CC(CC(C5)C3)C4)=CN=C2C=C1

IUPAC: N-({6-chloroimidazo[1,2-a]pyridin-3-yl}methyl)adamantan-1-aminium chloride

InChI: InChI=1S/C18H22ClN3.ClH/c19-15-1-2-17-20-9-16(22(17)11-15)10-21-18-6-12-3-13(7-18)5-14(4-12)8-18;/h1-2,9,11-14,21H,3-8,10H2;1H

Composition: C (61.37%), H (6.58%), Cl (20.12%), N (11.93%)

Molar Mass: 352.3

Atom Count: 46

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 351.1269032
Formal Charge 0
FSP3 0.61
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey XWLAWLVGQUMFJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.9
Topological Polar Surface Area 33.91
Polarizability 34.68
Ring Count 5
Rotatable Bond Count 3

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