"Attribute"
Melting point 149-151 °C(Solv: acetone (67-64-1); hexane (110-54-3))
Boiling point: 464.4±45.0 °C(Predicted)
Density: 1.20±0.1 g/cm ³ (Predicted)
Solubility Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml
Acidity coefficient (pKa)15.05±0.70(Predicted)
Form A crystalline solid
InChIInChI = 1 / C20H27ClO2 / c1-18-9-8-16 (22) 17 (21) 15 (18) the 5-4-12-13 (18), 6-10-19 (2) 14 (12) 6-10-19 (19, 3)/h8/21 dated 23-9, 12-14, 23 H, 4-7, 10-1 1 to 3 h2, h3 / t12 -, + 13, 14 +, 18, 19 + 20 + / s3
InChIKeyAGUNEISBPXQOPA-RFNNMYDSNA-N
@ SMILESC [C] 12 C = CC (= O) C (Cl) = C1CC @ @ [C] 1 ([H]) @ [C] 3 [H]) (CC @ @ [C] (O) (C) 3 (C) @ @ [C] CC @ [C] [H] | 21 & 1:1, 11,13,17,20,24, r |
Security information
DEA Controlled SubstancesCSCN: 4000
CSA SCH: Schedule III
NARC: No