L-Isoleucine
[CAS# 131598-62-4]

Identification

• Name: L-Isoleucine
• Synonyms: (2S,3S)-2-ammonio-3-methylpentanoate; (2S,3S)-2-azaniumyl-3-methylpentanoate; (2S,3S)-isoleucine
• Molecular Formula: C₆H₁₃NO₂
• Molecular Weight: 131.17
• CAS Registry Number: 131598-62-4
• SMILES: CC[C@H](C)[C@@H](C(=O)O)N
• InChI: 1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1
• InChIKey: AGPKZVBTJJNPAG-WHFBIAKZSA-N

Properties

• Density: 1.0±0.1g/cm³ (Cal.)
• Melting point: 287°C (Expl.)
• Boiling point: 225.8±23.0°C at 760 mmHg (Cal.)
• Flash point: 90.3±22.6°C (Cal.)
• Refractive index: 1.463 (Cal.)

Safety Data

• Safety Description: WARNING: Not for human consumption, may irriate skin & eyes.

References

• (1): Yuan et al.. Absolute Metabolite Concentrations and Implied Enzyme Active Site Occupancy in Escherichia coli, Nature Chemical Biology, 2009