4-(aminomethyl)benzonitrile hydrochloride

4-(aminomethyl)benzonitrile hydrochloride

CAS: 15996-76-6

Formula: C8H9ClN2

SMILES: Cl.NCC1=CC=C(C=C1)C#N

IUPAC: 4-(aminomethyl)benzonitrile hydrochloride

InChI: InChI=1S/C8H8N2.ClH/c9-5-7-1-2-8(6-10)4-3-7;/h1-4H,5,9H2;1H

Composition: C (56.98%), H (5.38%), Cl (21.02%), N (16.61%)

Molar Mass: 168.62

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.045426
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QREZLLYPLRPULF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.25
Topological Polar Surface Area	49.81
Polarizability	15.54
Ring Count	1
Rotatable Bond Count	1

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