3-O-Tert-Butyllevorphanol
[CAS# 50299-98-4]

Identification

• Name: 3-O-Tert-Butyllevorphanol
• Synonyms: 3-Tert-Butoxy-N-Methylmorphinan; Morphinan, 3-(1,1-Dimethylethoxy)-17-Methyl-
• Molecular Formula: C₂₁H₃₁NO
• Molecular Weight: 313.48
• CAS Registry Number: 50299-98-4
• SMILES: [C@@]234C1=C(C=CC(=C1)OC(C)(C)C)C[C@H]([C@@H]2CCCC3)N(CC4)C
• InChI: 1S/C21H31NO/c1-20(2,3)23-16-9-8-15-13-19-17-7-5-6-10-21(17,18(15)14-16)11-12-22(19)4/h8-9,14,17,19H,5-7,10-13H2,1-4H3/t17-,19+,21+/m0/s1
• InChIKey: HWTLPRHSBYNYIX-FBBABVLZSA-N

Properties

• Density: 1.07g/cm³ (Cal.)
• Boiling point: 425.238°C at 760 mmHg (Cal.)
• Flash point: 124.64°C (Cal.)