(2S)-2-[(2-bromo-4-methyl-pentanoyl)amino]-4-methyl-pentanoic acid
[CAS# 94230-82-7]

Identification

• Name: (2S)-2-[(2-bromo-4-methyl-pentanoyl)amino]-4-methyl-pentanoic acid
• Synonyms: N-(2-bromo-4-methyl-1-oxopentyl)-DL-leucine
• Molecular Formula: C₁₂H₂₂BrNO₃
• Molecular Weight: 308.21
• CAS Registry Number: 94230-82-7
• EINECS: 303-793-4
• SMILES: O=C(N[C@@H](CC(C)C)C(O)=O)C(Br)CC(C)C
• InChI: 1S/C12H22BrNO3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6H2,1-4H3,(H,14,15)(H,16,17)/t9?,10-/m0/s1
• InChIKey: SKIOHEOZWHHOCD-AXDSSHIGSA-N

Properties

• Density: 1.274g/cm³ (Cal.)
• Boiling point: 437.829°C at 760 mmHg (Cal.)
• Flash point: 218.591°C (Cal.)