N-Isobutyrylcysteine
[CAS 124529-07-3]

Identification

• Classification: Biochemical >> Amino acids and their derivatives >> Alanine derivatives
• Name: N-Isobutyrylcysteine
• Synonyms: 437042_ALDRICH; 58689_FLUKA
• Molecular Formula: C₇H₁₃NO₃S
• Molecular Weight: 191.25
• CAS Registry Number: 124529-07-3
• SMILES: CC(C)C(=O)N[C@H](CS)C(=O)O
• InChI: 1S/C7H13NO3S/c1-4(2)6(9)8-5(3-12)7(10)11/h4-5,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
• InChIKey: BWBQXMAXLAHHTK-RXMQYKEDSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 401.6±40.0°C at 760 mmHg (Cal.)
• Flash point: 196.7±27.3°C (Cal.)
• Refractive index: 1.507 (Cal.)

References

• (1): Marco Bieri, Cyrille Gautier and Thomas Bürgi. Probing chiral interfaces by infrared spectroscopic methods, Phys. Chem. Chem. Phys., 2007, 9, 671.