4-Hydroxy-5-[(1-Hydroxy-2-Butanyl)Amino]-3,6-Dimethyl-1,2-Benzoquinone
[CAS# 29441-85-8]

Identification

• Name: 4-Hydroxy-5-[(1-Hydroxy-2-Butanyl)Amino]-3,6-Dimethyl-1,2-Benzoquinone
• Synonyms: 2-Hydroxy-5-([1-(hydroxymethyl)propyl]amino)-3,6-dimethylbenzo-1,4-quinone; p-Benzoquinone, 2-hydroxy-5-[[1-(hydroxymethyl)propyl]amino]-3,6-dimethyl-
• Molecular Formula: C₁₂H₁₇NO₄
• Molecular Weight: 239.27
• CAS Registry Number: 29441-85-8
• SMILES: O=C1/C(=C(\C(\O)=C(/C1=O)C)NC(CC)CO)C
• InChI: 1S/C12H17NO4/c1-4-8(5-14)13-9-6(2)11(16)12(17)7(3)10(9)15/h8,13-15H,4-5H2,1-3H3
• InChIKey: JIGBZCQVPAUQAP-UHFFFAOYSA-N

Properties

• Density: 1.248g/cm³ (Cal.)
• Boiling point: 335.903°C at 760 mmHg (Cal.)
• Flash point: 156.949°C (Cal.)
• Refractive index: 1.554 (Cal.)