3,4-Diisovaleryl Adrenalone
[CAS# 92634-49-6]

Identification

• Name: 3,4-Diisovaleryl Adrenalone
• Synonyms: 2-Methylbutanoic Acid [5-(2-Methylamino-1-Oxoethyl)-2-(2-Methyl-1-Oxobutoxy)Phenyl] Ester; 2-Methylbutyric Acid [2-(2-Methylbutanoyloxy)-5-Sarcosyl-Phenyl] Ester; [5-(2-Methylaminoethanoyl)-2-(2-Methylbutanoyloxy)Phenyl] 2-Methylbutanoate
• Molecular Formula: C₁₉H₂₇NO₅
• Molecular Weight: 349.43
• CAS Registry Number: 92634-49-6
• SMILES: C1=C(C(=CC(=C1)C(=O)CNC)OC(=O)C(CC)C)OC(C(CC)C)=O
• InChI: 1S/C19H27NO5/c1-6-12(3)18(22)24-16-9-8-14(15(21)11-20-5)10-17(16)25-19(23)13(4)7-2/h8-10,12-13,20H,6-7,11H2,1-5H3
• InChIKey: MUULHPNPXBMEQL-UHFFFAOYSA-N

Properties

• Density: 1.087g/cm³ (Cal.)
• Boiling point: 476.44°C at 760 mmHg (Cal.)
• Flash point: 241.942°C (Cal.)