4-[(3R,4S)-4-(4-Hydroxyphenyl)-3-hexanyl]phenol - 1H-diazirene (1:1)
[CAS# 153145-01-8]

Identification

• Name: 4-[(3R,4S)-4-(4-Hydroxyphenyl)-3-hexanyl]phenol - 1H-diazirene (1:1)
• Synonyms: hexestrol diazirine
• Molecular Formula: C₁₉H₂₄N₂O₂
• Molecular Weight: 312.41
• CAS Registry Number: 153145-01-8
• SMILES: Oc1ccc(cc1)[C@H](CC)[C@H](CC)c2ccc(O)cc2.C=1NN=1
• InChI: 1S/C18H22O2.CH2N2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14;1-2-3-1/h5-12,17-20H,3-4H2,1-2H3;1H,(H,2,3)/t17-,18+
• InChIKey: VTIFHLSBZIJRPZ-GNXQHMNLSA-N

Properties

• Boiling point: 453.1°C at 760 mmHg (Cal.)
• Flash point: 227.8°C (Cal.)
• Refractive index: (Cal.)