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5-aminoisoquinoline hydrochloride

5-aminoisoquinoline hydrochloride

CAS: 152814-23-8

Formula: C9H9ClN2

SMILES: Cl[H].NC1=CC=CC2=CN=CC=C12

IUPAC: isoquinolin-5-amine hydrochloride

InChI: InChI=1S/C9H8N2.ClH/c10-9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H,10H2;1H

Composition: C (59.84%), H (5.02%), Cl (19.63%), N (15.51%)

Molar Mass: 180.64

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 180.045426
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KTTWAKYMVKDTRK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.05
Topological Polar Surface Area 38.91
Polarizability 18.16
Ring Count 2
Rotatable Bond Count 0

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