1H-1,4-Benzodiazepine,2,3,4,5-tetrahydro-7,8-dimethoxy- supplier

Name
7,8-DIMETHOXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE
EINECS
CAS No. 61471-52-1
Density 1.073 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂O₂
Boiling Point 355.5 °C at 760 mmHg
Molecular Weight 208.26
Flash Point 141.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7,8-Dimethoxy-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine;
PSA 42.52000
LogP 1.68570

1H-1,4-Benzodiazepine,2,3,4,5-tetrahydro-7,8-dimethoxy- Specification

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

Product Name

7,8-DIMETHOXY-2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPINE

1H-1,4-Benzodiazepine,2,3,4,5-tetrahydro-7,8-dimethoxy- Specification

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