Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(+)-Tetrabenazine |
EINECS | N/A |
CAS No. | 1026016-83-0 | Density | 1.12g/cm3 |
PSA | 38.77000 | LogP | 3.17600 |
Solubility | N/A | Melting Point |
108-110 °C |
Formula | C19H27NO3 | Boiling Point | 448.9 °C at 760 mmHg |
Molecular Weight | 317.42 | Flash Point | 225.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(+)-TBZ;(+)-Tetrabenazine; |
Article Data | 16 |
The (+)-Tetrabenazine with the cas number 1026016-83-0 is also called 2H-Benzo[a]quinolizin-2-one,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-. The systematic name is 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one. Its molecular formula is C19H27NO3. The product's category is APIs.
The properties of the chemical are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 25.96; (6)ACD/BCF (pH 7.4): 231.94; (7)ACD/KOC (pH 5.5): 186.36; (8)ACD/KOC (pH 7.4): 1665.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 90.25 cm3; (15)Molar Volume: 281.6 cm3; (16)Polarizability: 35.77×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 70.75 kJ/mol ; (19)Vapour Pressure: 2.98×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C3C(CC(C)C)CN2C(c1c(cc(OC)c(OC)c1)CC2)C3
(2)InChI: InChI=1/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
(3)InChIKey: MKJIEFSOBYUXJB-UHFFFAOYAN