Octyl 5-(Cyclopropylcarbamoyl)-2,6-Dimethyl-4-(2-Nitrophenyl)-1,4-Dihydropyridine-3-Carboxylate
[CAS# 132031-81-3]

Identification

• Name: Octyl 5-(Cyclopropylcarbamoyl)-2,6-Dimethyl-4-(2-Nitrophenyl)-1,4-Dihydropyridine-3-Carboxylate
• Synonyms: 5-[(Cyclopropylamino)-Oxomethyl]-2,6-Dimethyl-4-(2-Nitrophenyl)-1,4-Dihydropyridine-3-Carboxylic Acid Octyl Ester; 5-(Cyclopropylcarbamoyl)-2,6-Dimethyl-4-(2-Nitrophenyl)-1,4-Dihydropyridine-3-Carboxylic Acid Octyl Ester; 3-Pyridinecarboxylic Acid, 5-((Cyclopropylamino)Carbonyl)-1,4-Dihydro-2,6-Dimethyl-4-(2-Nitrophenyl)-, Octyl Ester
• Molecular Formula: C₂₆H₃₅N₃O₅
• Molecular Weight: 469.58
• CAS Registry Number: 132031-81-3
• SMILES: C1=CC=CC(=C1C2C(=C(NC(=C2C(OCCCCCCCC)=O)C)C)C(=O)NC3CC3)[N+]([O-])=O
• InChI: 1S/C26H35N3O5/c1-4-5-6-7-8-11-16-34-26(31)23-18(3)27-17(2)22(25(30)28-19-14-15-19)24(23)20-12-9-10-13-21(20)29(32)33/h9-10,12-13,19,24,27H,4-8,11,14-16H2,1-3H3,(H,28,30)
• InChIKey: IAWVGADTHVEXRD-UHFFFAOYSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 633.622°C at 760 mmHg (Cal.)
• Flash point: 337.003°C (Cal.)