4-(1-aminoethyl)benzonitrile hydrochloride

4-(1-aminoethyl)benzonitrile hydrochloride

CAS: 1177316-44-7

Formula: C9H11ClN2

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

IUPAC: 4-(1-aminoethyl)benzonitrile hydrochloride

InChI: InChI=1/C9H10N2.ClH/c1-7(11)9-4-2-8(6-10)3-5-9;/h2-5,7H,11H2,1H3;1H

Composition: C (59.18%), H (6.07%), Cl (19.41%), N (15.34%)

Molar Mass: 182.65

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	182.0610761
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KZLPYAMQKGFHBF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.67
Topological Polar Surface Area	49.81
Polarizability	17.38
Ring Count	1
Rotatable Bond Count	1

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95%	<2 Days	1177316-44-7		$51.35-$6,516.76$51.35$63.37$86.31$815.01$3,666.43$6,516.76

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1177316-44-7		$51.35-$7,300.09$51.35$63.37$86.31$913.33$4,106.71$7,300.09

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95%	<5 Days	1177316-44-7		$171.50-$306.42$171.50$215.63$306.42