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4-({[(4-cyanophenyl)methyl]amino}methyl)benzonitrile hydrochloride

4-({[(4-cyanophenyl)methyl]amino}methyl)benzonitrile hydrochloride

Formula: C16H14ClN3

SMILES: Cl.N#CC1=CC=C(CNCC2=CC=C(C=C2)C#N)C=C1

IUPAC: 4-({[(4-cyanophenyl)methyl]amino}methyl)benzonitrile hydrochloride

InChI: InChI=1S/C16H13N3.ClH/c17-9-13-1-5-15(6-2-13)11-19-12-16-7-3-14(10-18)4-8-16;/h1-8,19H,11-12H2;1H

Composition: C (67.73%), H (4.97%), Cl (12.49%), N (14.81%)

Molar Mass: 283.76

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 283.0876252
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KUPRRXGOGODEHA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.36
Topological Polar Surface Area 59.61
Polarizability 28.82
Ring Count 2
Rotatable Bond Count 4

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98% <10 Days C16H14ClN3 Quote Only
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <14 Days C16H14ClN3 Quote Only
Request Quote