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5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile

5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile

CAS: 51802-61-0

Formula: C14H12N4

SMILES: CC1=NC(C#N)=C(NC(C1)C1=CC=CC=C1)C#N

IUPAC: 5-methyl-7-phenyl-6,7-dihydro-1H-1,4-diazepine-2,3-dicarbonitrile

InChI: InChI=1/C14H12N4/c1-10-7-12(11-5-3-2-4-6-11)18-14(9-16)13(8-15)17-10/h2-6,12,18H,7H2,1H3

Composition: C (71.17%), H (5.12%), N (23.71%)

Molar Mass: 236.278

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 236.106196402
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GFYHLMBCTFREMN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.24
Topological Polar Surface Area 71.97
Polarizability 25.63
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 51802-61-0 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
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