(8-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-4-Oxo-1-Phenyl-1,3,8-Triazaspiro[4.5]Dec-3-Yl)Acetic Acid
[CAS# 180386-35-0]

Identification

• Name: (8-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-4-Oxo-1-Phenyl-1,3,8-Triazaspiro[4.5]Dec-3-Yl)Acetic Acid
• Synonyms: 2-(8-(tert-Butoxycarbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid; Boc-3-carboxymethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; MFCD00673780
• Molecular Formula: C₂₀H₂₇N₃O₅
• Molecular Weight: 389.45
• CAS Registry Number: 180386-35-0
• SMILES: O=C(OC(C)(C)C)N3CCC2(C(=O)N(CN2c1ccccc1)CC(=O)O)CC3
• InChI: 1S/C20H27N3O5/c1-19(2,3)28-18(27)21-11-9-20(10-12-21)17(26)22(13-16(24)25)14-23(20)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,24,25)
• InChIKey: JCGYOUBJGZCPET-UHFFFAOYSA-N

Properties

• Density: 1.316g/cm³ (Cal.)
• Boiling point: 608.782°C at 760 mmHg (Cal.)
• Flash point: 321.98°C (Cal.)
• Refractive index: 1.612 (Cal.)

Safety Data

• Safety Description: IRRITANT