1-{2H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-yl}methanamine dihydrochloride

1-{2H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-yl}methanamine dihydrochloride

CAS: 1262771-70-9

Formula: C9H17Cl2N3

SMILES: Cl.Cl.NCC1=C2CCCCCC2=NN1

IUPAC: 1-{2H,4H,5H,6H,7H,8H-cyclohepta[c]pyrazol-3-yl}methanamine dihydrochloride

InChI: InChI=1S/C9H15N3.2ClH/c10-6-9-7-4-2-1-3-5-8(7)11-12-9;;/h1-6,10H2,(H,11,12);2*1H

Composition: C (45.39%), H (7.20%), Cl (29.77%), N (17.64%)

Molar Mass: 238.16

Atom Count: 31

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.079953
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KLHYYIDOHMBNOC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.76
Topological Polar Surface Area	54.7
Polarizability	18.82
Ring Count	2
Rotatable Bond Count	1

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