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CAS No.: | 886366-76-3 |
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Name: | 2,3,4,5-TETRAHYDRO-1H-BENZO[E][1,4]DIAZEPIN-7-OL |
Molecular Structure: | |
Formula: | C9H12N2O |
Molecular Weight: | 164.20 |
Synonyms: | 1H-1,4-Benzodiazepin-7-ol, 2,3,4,5-tetrahydro-; 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-7-ol |
Density: | 1.136 g/cm3 |
Boiling Point: | 374.6 °C at 760 mmHg |
Flash Point: | 194.9 °C |
PSA: | 44.29000 |
LogP: | 1.37410 |
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This chemical is called 1H-1,4-Benzodiazepin-7-ol, 2,3,4,5-tetrahydro-, and its IUPAC name is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-ol. With the molecular formula of C9H12N2O, its molecular weight is 164.20. The CAS registry number of this chemical is 886366-76-3.
Other characteristics of the 1H-1,4-Benzodiazepin-7-ol, 2,3,4,5-tetrahydro- can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 44.29 Å2; (5)Index of Refraction: 1.564; (6)Molar Refractivity: 47 cm3; (7)Molar Volume: 144.4 cm3; (8)Polarizability: 18.63×10-24cm3; (9)Surface Tension: 44.9 dyne/cm; (10)Density: 1.136 g/cm3; (11)Flash Point: 194.9 °C; (12)Enthalpy of Vaporization: 64.65 kJ/mol; (13)Boiling Point: 374.6 °C at 760 mmHg; (14)Vapour Pressure: 3.82E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc2NCCNCc2c1
2.InChI: InChI=1/C9H12N2O/c12-8-1-2-9-7(5-8)6-10-3-4-11-9/h1-2,5,10-12H,3-4,6H2
3.InChIKey: JQYCOQDSDCFYKU-UHFFFAOYAB