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3-{[(1-phenylethyl)amino]methyl}benzonitrile hydrochloride

3-{[(1-phenylethyl)amino]methyl}benzonitrile hydrochloride

CAS: 1332609-10-5

Formula: C16H17ClN2

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

IUPAC: 3-{[(1-phenylethyl)amino]methyl}benzonitrile hydrochloride

InChI: InChI=1/C16H16N2.ClH/c1-13(16-8-3-2-4-9-16)18-12-15-7-5-6-14(10-15)11-17;/h2-10,13,18H,12H2,1H3;1H

Composition: C (70.45%), H (6.28%), Cl (13.00%), N (10.27%)

Molar Mass: 272.78

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 272.1080263
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PNIKCLORPCZYCA-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.06
Topological Polar Surface Area 35.82
Polarizability 28.87
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1332609-10-5 $143.75-$258.75$143.75$258.75
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