O3-Ethyl O5-Methyl 2-(2-Aminoethylsulfanylmethyl)-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate
[CAS# 110646-15-6]

Identification

• Name: O3-Ethyl O5-Methyl 2-(2-Aminoethylsulfanylmethyl)-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylate
• Synonyms: 2-[(2-Aminoethylthio)Methyl]-6-Methyl-4-(3-Nitrophenyl)-1,4-Dihydropyridine-3,5-Dicarboxylic Acid O3-Ethyl O5-Methyl Ester; 2-(2-Aminoethylthio)Methyl-3-Carboethoxy-5-Carbomethoxy-6-Methyl-4-(3-Nitrophenyl-1,4-Dihydropyridine); 3,5-Pyridinedicarboxylic Acid, 2-(((2-Aminoethyl)Thio)Methyl)-1,4-Dihydro-6-Methyl-4-(3-Nitrophenyl)-, 3-Ethyl 5-Methyl Ester
• Molecular Formula: C₂₀H₂₅N₃O₆S
• Molecular Weight: 435.49
• CAS Registry Number: 110646-15-6
• SMILES: C1=CC=C(C=C1C2C(=C(NC(=C2C(OCC)=O)CSCCN)C)C(=O)OC)[N+]([O-])=O
• InChI: 1S/C20H25N3O6S/c1-4-29-20(25)18-15(11-30-9-8-21)22-12(2)16(19(24)28-3)17(18)13-6-5-7-14(10-13)23(26)27/h5-7,10,17,22H,4,8-9,11,21H2,1-3H3
• InChIKey: NCPRZAIJPGXTLB-UHFFFAOYSA-N

Properties

• Density: 1.279g/cm³ (Cal.)
• Boiling point: 576.785°C at 760 mmHg (Cal.)
• Flash point: 302.629°C (Cal.)