N-(2-Bromo-3-methylbutanoyl)-L-phenylalanine
[CAS# 94107-41-2]

Identification

• Name: N-(2-Bromo-3-methylbutanoyl)-L-phenylalanine
• Synonyms: N-(2-bromo-3-methylbutyryl)-3-phenyl-DL-alanine
• Molecular Formula: C₁₄H₁₈BrNO₃
• Molecular Weight: 328.20
• CAS Registry Number: 94107-41-2
• EINECS: 302-275-5
• SMILES: CC(C)C(Br)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
• InChI: 1S/C14H18BrNO3/c1-9(2)12(15)13(17)16-11(14(18)19)8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,16,17)(H,18,19)/t11-,12?/m0/s1
• InChIKey: RGIHFSFFOHEHAX-PXYINDEMSA-N

Properties

• Density: 1.39g/cm³ (Cal.)
• Boiling point: 496.643°C at 760 mmHg (Cal.)
• Flash point: 254.161°C (Cal.)