Basic Information | Post buying leads | Suppliers |
Name |
1H-1,4-Benzodiazepine,2,3,4,5-tetrahydro-7,8-dimethoxy- |
EINECS | N/A |
CAS No. | 61471-52-1 | Density | 1.073 g/cm3 |
PSA | 42.52000 | LogP | 1.68570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H16N2O2 | Boiling Point | 355.5 °C at 760 mmHg |
Molecular Weight | 208.26 | Flash Point | 141.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine; |
The 1H-1, 4-Benzodiazepine, 2, 3, 4, 5-tetrahydro-7, 8-dimethoxy-, with the CAS registry number of 61471-52-1, is also known as 7, 8-Dimethoxy-2, 3, 4, 5-tetrahydro-1H-benzo[E][1, 4]diazepine. This chemical's molecular formula is C11H16N2O2 and molecular weight is 208.26. What's more, its IUPAC name is 7, 8-Dimethoxy-2, 3, 4, 5-tetrahydro-1H-1, 4-benzodiazepine.
Physical properties about 1H-1, 4-Benzodiazepine, 2, 3, 4, 5-tetrahydro-7, 8-dimethoxy- are: (1)ACD/LogP: 0.17; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.514; (8)Molar Refractivity: 58.48 cm3; (9)Molar Volume: 194 cm3; (10)Polarizability: 23.18×10-24 cm3; (11)Surface Tension: 35.1 dyne/cm; (12)Density: 1.073 g/cm3; (13)Flash Point: 141.1 °C; (14)Enthalpy of Vaporization: 60.06 kJ/mol; (15)Boiling Point: 355.5 °C at 760 mmHg; (16)Vapour Pressure: 3.12E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc2CNCCNc2cc1OC
(2) InChI: InChI=1/C11H16N2O2/c1-14-10-5-8-7-12-3-4-13-9(8)6-11(10)15-2/h5-6,12-13H,3-4,7H2,1-2H3
(3) InChIKey: HFAOECPKDYQICN-UHFFFAOYAQ