126168-32-9

The 9H-Carbazol-3-ol,1-heptyl-2-methyl-, with the CAS registry number 126168-32-9, has the systematic name of 1-heptyl-2-methyl-9H-carbazol-3-ol. And the molecular formula of the chemical is C₂₀H₂₅NO. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes, and it should be stored at -20°C.

The characteristics of 9H-Carbazol-3-ol,1-heptyl-2-methyl- are as followings: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 7; (6)Polar Surface Area: 14.16 Å²; (7)Index of Refraction: 1.639; (8)Molar Refractivity: 95.79 cm³; (9)Molar Volume: 266 cm³; (10)Polarizability: 37.97×10^-24cm³; (11)Surface Tension: 48.6 dyne/cm; (12)Density: 1.11 g/cm³; (13)Flash Point: 254.5 °C; (14)Enthalpy of Vaporization: 79.42 kJ/mol; (15)Boiling Point: 497.3 °C at 760 mmHg; (16)Vapour Pressure: 1.64E-10 mmHg at 25°C.

Uses of 9H-Carbazol-3-ol,1-heptyl-2-methyl-: It can react with acetic acid anhydride to produce 3-acetoxy-1-heptyl-2-methyl-9H-carbazole. This reaction will need reagent pyridine. The reaction time is 12 houra with ambient temperature, and the yield is about 98%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Oc3cc2c1ccccc1nc2c(c3C)CCCCCCC
(2)InChI: InChI=1/C20H25NO/c1-3-4-5-6-7-10-15-14(2)19(22)13-17-16-11-8-9-12-18(16)21-20(15)17/h8-9,11-13,21-22H,3-7,10H2,1-2H3
(3)InChIKey: ADLBIVFEKWBVKQ-UHFFFAOYAW

The toxicity data is as follows: