N-[(1-Ethyl-2-Pyrrolidinyl)Methyl]-5-(Ethylsulphonyl)-2-Methoxy-4-Nitrobenzamide
[CAS# 79893-23-5]

Identification

• Name: N-[(1-Ethyl-2-Pyrrolidinyl)Methyl]-5-(Ethylsulphonyl)-2-Methoxy-4-Nitrobenzamide
• Synonyms: N-[(1-Ethylpyrrolidin-2-Yl)Methyl]-5-Ethylsulfonyl-2-Methoxy-4-Nitro-Benzamide; N-[(1-Ethyl-2-Pyrrolidinyl)Methyl]-5-Ethylsulfonyl-2-Methoxy-4-Nitrobenzamide
• Molecular Formula: C₁₇H₂₅N₃O₆S
• Molecular Weight: 399.46
• CAS Registry Number: 79893-23-5
• EINECS: 279-337-2
• SMILES: C1=C([S](=O)(=O)CC)C(=CC(=C1C(=O)NCC2N(CCC2)CC)OC)[N+]([O-])=O
• InChI: 1S/C17H25N3O6S/c1-4-19-8-6-7-12(19)11-18-17(21)13-9-16(27(24,25)5-2)14(20(22)23)10-15(13)26-3/h9-10,12H,4-8,11H2,1-3H3,(H,18,21)
• InChIKey: AHGRUFWMUYBFSG-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 585.48°C at 760 mmHg (Cal.)
• Flash point: 307.888°C (Cal.)