4-(aminomethyl)-3,5-dimethylbenzonitrile hydrochloride

4-(aminomethyl)-3,5-dimethylbenzonitrile hydrochloride

CAS: 1618647-93-0

Formula: C10H13ClN2

SMILES: Cl.CC1=CC(=CC(C)=C1CN)C#N

IUPAC: 4-(aminomethyl)-3,5-dimethylbenzonitrile hydrochloride

InChI: InChI=1S/C10H12N2.ClH/c1-7-3-9(5-11)4-8(2)10(7)6-12;/h3-4H,6,12H2,1-2H3;1H

Composition: C (61.07%), H (6.66%), Cl (18.02%), N (14.24%)

Molar Mass: 196.68

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	196.0767261
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XWRYZCLHGPUMRV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.34
Topological Polar Surface Area	49.81
Polarizability	19.07
Ring Count	1
Rotatable Bond Count	1

Suppliers

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1618647-93-0		$547.34-$881.65$547.34$547.34$881.65$881.65