heptyl (2S)-2-acetamido-4-methylsulfanyl-butanoate
[CAS# 94160-17-5]

Identification

• Name: heptyl (2S)-2-acetamido-4-methylsulfanyl-butanoate
• Synonyms: heptyl N-acetyl-DL-methionate
• Molecular Formula: C₁₄H₂₇NO₃S
• Molecular Weight: 289.43
• CAS Registry Number: 94160-17-5
• EINECS: 303-299-9
• SMILES: O=C(C)N[C@@H](CCSC)C(=O)OCCCCCCC
• InChI: 1S/C14H27NO3S/c1-4-5-6-7-8-10-18-14(17)13(9-11-19-3)15-12(2)16/h13H,4-11H2,1-3H3,(H,15,16)/t13-/m0/s1
• InChIKey: ITAMPCRWHBHHPJ-ZDUSSCGKSA-N

Properties

• Density: 1.021g/cm³ (Cal.)
• Boiling point: 442.72°C at 760 mmHg (Cal.)
• Flash point: 221.549°C (Cal.)