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2-({[(2-cyanophenyl)amino]methyl}amino)benzonitrile

2-({[(2-cyanophenyl)amino]methyl}amino)benzonitrile

Formula: C15H12N4

SMILES: N#CC1=CC=CC=C1NCNC1=CC=CC=C1C#N

IUPAC: 2-({[(2-cyanophenyl)amino]methyl}amino)benzonitrile

InChI: InChI=1S/C15H12N4/c16-9-12-5-1-3-7-14(12)18-11-19-15-8-4-2-6-13(15)10-17/h1-8,18-19H,11H2

Composition: C (72.56%), H (4.87%), N (22.57%)

Molar Mass: 248.289

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 248.106196402
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GTOPOQYJKAXHHG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.79
Topological Polar Surface Area 71.64
Polarizability 27.71
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H12N4 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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