1-(isoquinolin-8-yl)methanamine dihydrochloride

1-(isoquinolin-8-yl)methanamine dihydrochloride

CAS: 850734-84-8

Formula: C10H12Cl2N2

SMILES: Cl.Cl.NCC1=CC=CC2=CC=NC=C12

IUPAC: 1-(isoquinolin-8-yl)methanamine dihydrochloride

InChI: InChI=1S/C10H10N2.2ClH/c11-6-9-3-1-2-8-4-5-12-7-10(8)9;;/h1-5,7H,6,11H2;2*1H

Composition: C (51.97%), H (5.23%), Cl (30.68%), N (12.12%)

Molar Mass: 231.12

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.0377538
Formal Charge	0
FSP3	0.1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GQPDNUJLVOFHSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.82
Topological Polar Surface Area	38.91
Polarizability	20.42
Ring Count	2
Rotatable Bond Count	1

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