3-(3-{[(1-Allyl-2-pyrrolidinyl)methyl]carbamoyl}-4-methoxyphenyl)propyl 4-methylbenzenesulfonate
[CAS# 713135-14-9]

Identification

• Name: 3-(3-{[(1-Allyl-2-pyrrolidinyl)methyl]carbamoyl}-4-methoxyphenyl)propyl 4-methylbenzenesulfonate
• Synonyms: BENZAMIDE,2-METHOXY-5-[3-[[(4-METHYLPHENYL)SULFONYL]OXY]PROPYL]-N-[[1-(2-PROPEN-1-YL)-2-PYRROLIDINYL]METHYL]-
• Molecular Formula: C₂₆H₃₄N₂O₅S
• Molecular Weight: 486.62
• CAS Registry Number: 713135-14-9
• SMILES: O=S(=O)(OCCCc1cc(c(OC)cc1)C(=O)NCC2N(C\C=C)CCC2)c3ccc(cc3)C
• InChI: 1S/C26H34N2O5S/c1-4-15-28-16-5-8-22(28)19-27-26(29)24-18-21(11-14-25(24)32-3)7-6-17-33-34(30,31)23-12-9-20(2)10-13-23/h4,9-14,18,22H,1,5-8,15-17,19H2,2-3H3,(H,27,29)
• InChIKey: DFOINLKUZHHYKU-UHFFFAOYSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 638.406°C at 760 mmHg (Cal.)
• Flash point: 339.896°C (Cal.)
• Refractive index: 1.555 (Cal.)