4-{[2-(1,3-Benzodioxol-5-Yl)Ethyl]Amino}-2-(4-Methylbenzyl)-4-Oxobutanoic Acid
[CAS# 332849-40-8]

Identification

• Name: 4-{[2-(1,3-Benzodioxol-5-Yl)Ethyl]Amino}-2-(4-Methylbenzyl)-4-Oxobutanoic Acid
• Synonyms: N-(2-Benzo[1,3]dioxol-5-yl-ethyl)-2-(4-methyl-benzyl)-succinamic acid; BAS 01832080; MFCD01933198
• Molecular Formula: C₂₁H₂₃NO₅
• Molecular Weight: 369.41
• CAS Registry Number: 332849-40-8
• SMILES: CC1=CC=C(C=C1)CC(CC(=O)NCCC2=CC3=C(C=C2)OCO3)C(=O)O
• InChI: 1S/C21H23NO5/c1-14-2-4-15(5-3-14)10-17(21(24)25)12-20(23)22-9-8-16-6-7-18-19(11-16)27-13-26-18/h2-7,11,17H,8-10,12-13H2,1H3,(H,22,23)(H,24,25)
• InChIKey: WFDVRQOVLBEPIS-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 624.2±55.0°C at 760 mmHg (Cal.)
• Flash point: 331.3±31.5°C (Cal.)
• Refractive index: 1.593 (Cal.)

Safety Data

• Safety Description: IRRITANT