1,1-Cyclohexanedicarbonitrile
[CAS# 5222-53-7]

Identification

• Name: 1,1-Cyclohexanedicarbonitrile
• Synonyms: 5-(Hydroxyamino)-N-[[3-[4-[4-[4-(Hydroxymethyl)Phenyl]-6-[[4-(4-Nitrophenyl)Piperazin-1-Yl]Methyl]-1,3-Dioxan-2-Yl]Phenyl]Phenyl]Methyl]-5-Oxo-Pentanamide; 5-(Hydroxyamino)-N-[[3-[4-[4-[4-(Hydroxymethyl)Phenyl]-6-[[4-(4-Nitrophenyl)-1-Piperazinyl]Methyl]-1,3-Dioxan-2-Yl]Phenyl]Phenyl]Methyl]-5-Oxopentanamide; 5-(Hydroxyamino)-5-Keto-N-[3-[4-[4-(4-Methylolphenyl)-6-[[4-(4-Nitrophenyl)Piperazin-1-Yl]Methyl]-1,3-Dioxan-2-Yl]Phenyl]Benzyl]Valeramide
• Molecular Formula: C₄₀H₄₅N₅O₈
• Molecular Weight: 723.82
• CAS Registry Number: 5222-53-7
• SMILES: C6=C(C3OC(OC(CN1CCN(CC1)C2=CC=C([N+]([O-])=O)C=C2)C3)C4=CC=C(C=C4)C5=CC(=CC=C5)CNC(=O)CCCC(=O)NO)C=CC(=C6)CO
• InChI: 1S/C40H45N5O8/c46-27-28-7-9-31(10-8-28)37-24-36(26-43-19-21-44(22-20-43)34-15-17-35(18-16-34)45(50)51)52-40(53-37)32-13-11-30(12-14-32)33-4-1-3-29(23-33)25-41-38(47)5-2-6-39(48)42-49/h1,3-4,7-18,23,36-37,40,46,49H,2,5-6,19-22,24-27H2,(H,41,47)(H,42,48)
• InChIKey: ISHRPSHKEZYGSX-UHFFFAOYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)