N-Acetyl-L-isoleucine

• CAS: 3077-46-1
• Catalog Number: ACM3077461
• Category: Other Products
• Molecular Weight: 173.21
• Molecular Formula: C8H15NO3
• Synonyms: N-Acetylisoleucine
• IUPAC Name: (2S,3S)-2-Acetamido-3-methylpentanoic acid
• Canonical SMILES: CCC(C)C(C(=O)O)NC(=O)C
• InChI: InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5-,7-/m0/s1
• InChI Key: JDTWZSUNGHMMJM-FSPLSTOPSA-N
• Boiling Point: 369.7±25.0 °C
• Melting Point: 150-151 °C
• Flash Point: 177.4 °C
• Density: 1.069±0.06 g/cm³
• Appearance: White to off-white crystalline
• Storage: Sealed in dry, room temperature
• Complexity: 179
• Exact Mass: 173.10519334
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)O)NC(=O)C
• Monoisotopic Mass: 173.10519334
• pKa: 3.67±0.10(Predicted)
• Refractive Index: 1.458
• Topological Polar Surface Area: 66.4 Ų