Isopropyl L-methioninate (2E)-2-butenedioate (2:1)
[CAS# 20772-50-3]

Identification

• Name: Isopropyl L-methioninate (2E)-2-butenedioate (2:1)
• Synonyms: bis[O-isopropyl-DL-methionine] fumarate
• Molecular Formula: C₂₀H₃₈N₂O₈S₂
• Molecular Weight: 498.65
• CAS Registry Number: 20772-50-3
• EINECS: 244-022-0
• SMILES: O=C(OC(C)C)[C@@H](N)CCSC.OC(=O)/C=C/C(O)=O.CC(C)OC(=O)[C@@H](N)CCSC
• InChI: 1S/2C8H17NO2S.C4H4O4/c2*1-6(2)11-8(10)7(9)4-5-12-3;5-3(6)1-2-4(7)8/h2*6-7H,4-5,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*7-;/m00./s1
• InChIKey: HJPAWJBAADASMW-NSSXTIIFSA-N

Properties

• Boiling point: 660.4°C at 760 mmHg (Cal.)
• Flash point: 353.2°C (Cal.)
• Refractive index: (Cal.)