N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Isoleucine
[CAS# 116194-21-9]

Identification

• Name: N-{[(2-Methyl-2-Propanyl)Oxy]Carbonyl}-L-Isoleucine
• Synonyms: (2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanoic acid; (2S,3S)-2-[(tert-butoxy)carbonylamino]-3-methylpentanoic acid; (2S,3S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylpentanoic acid
• Molecular Formula: C₁₁H₂₁NO₄
• Molecular Weight: 231.29
• CAS Registry Number: 116194-21-9
• SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C
• InChI: 1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m0/s1
• InChIKey: QJCNLJWUIOIMMF-YUMQZZPRSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Melting point: 60°C (Expl.)
• Boiling point: 356.0±25.0°C at 760 mmHg (Cal.)
• Flash point: 169.1±23.2°C (Cal.)
• Refractive index: 1.461 (Cal.)
• solubility: 1 mmole in 2 ml CH2Cl2 passes test

Safety Data

• Safety Description: CAUTION: May irritate eyes, skin, and respiratory tract