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2-[3-(aminomethyl)phenyl]acetonitrile hydrochloride

2-[3-(aminomethyl)phenyl]acetonitrile hydrochloride

Formula: C9H11ClN2

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

IUPAC: 2-[3-(aminomethyl)phenyl]acetonitrile hydrochloride

InChI: InChI=1S/C9H10N2.ClH/c10-5-4-8-2-1-3-9(6-8)7-11;/h1-3,6H,4,7,11H2;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 0
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 HEMULMACDGZBJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.82
Topological Polar Surface Area 49.81
Polarizability 17.23
Ring Count 1
Rotatable Bond Count 2

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98% <10 Days C9H11ClN2 Quote Only
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