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3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride

3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride

CAS: 2170371-90-9

Formula: C6H9ClN2

SMILES: Cl.NC12CC(C1)(C2)C#N

IUPAC: 3-aminobicyclo[1.1.1]pentane-1-carbonitrile hydrochloride

InChI: InChI=1S/C6H8N2.ClH/c7-4-5-1-6(8,2-5)3-5;/h1-3,8H2;1H

Composition: C (49.84%), H (6.27%), Cl (24.52%), N (19.37%)

Molar Mass: 144.6

Atom Count: 18

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 144.045426
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CLDUCIWJJNDCRZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.61
Topological Polar Surface Area 49.81
Polarizability 11.69
Ring Count 2
Rotatable Bond Count 0

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