[1S,(+)]-1alpha-Ethyl-1,2,3,4-Tetrahydro-7-Methoxy-2-Methylphenanthrene-2alpha-Carboxylic Acid
[CAS# 5936-10-7]

Identification

• Name: [1S,(+)]-1alpha-Ethyl-1,2,3,4-Tetrahydro-7-Methoxy-2-Methylphenanthrene-2alpha-Carboxylic Acid
• Molecular Formula: C₂₄H₂₇N₃O₄
• Molecular Weight: 421.50
• CAS Registry Number: 5936-10-7
• SMILES: C2=C(CN(C(=O)C1=CC=CC(=C1)[N+]([O-])=O)CCCC)[N](C=C2)CC3=CC=CC(=C3)OC
• InChI: 1S/C24H27N3O4/c1-3-4-13-26(24(28)20-9-6-10-21(16-20)27(29)30)18-22-11-7-14-25(22)17-19-8-5-12-23(15-19)31-2/h5-12,14-16H,3-4,13,17-18H2,1-2H3
• InChIKey: HXYGZCKYIJWPLH-UHFFFAOYSA-N

Properties

• Density: 1.164g/cm³ (Cal.)
• Boiling point: 608.397°C at 760 mmHg (Cal.)
• Flash point: 321.747°C (Cal.)