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168080-43-1

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Basic Information
CAS No.: 168080-43-1
Name: 1,4-BENZODIAZEPIN-3-ONE
Article Data: 7
Molecular Structure:
Molecular Structure of 168080-43-1 (1,4-BENZODIAZEPIN-3-ONE)
Formula: C9H10N2O
Molecular Weight: 162.191
Synonyms: 2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-3-one;
Density: 1.138g/cm3
Boiling Point: 436.693 °C at 760 mmHg
Flash Point: 210.395 °C
PSA: 41.13000
LogP: 1.19510
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Specification

The 3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- is an organic compound with the formula C9H10N2O. The systematic name of this chemical is 1,2,4,5-Tetrahydro-3H-1,4-benzodiazepin-3-one. With the CAS registry number 168080-43-1, it is also named as 1,3,4,5-Tetrahydro-2H-1,5-benzodiazepin-2-one. The product's categories are Aromatics Compounds; Aromatics; Heterocycles. Besides, its molecular weight is 162.19.

Physical properties about 3H-1,4-Benzodiazepin-3-one,1,2,4,5-tetrahydro- are: (1)ACD/LogP: 0.40; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12; (5)ACD/KOC (pH 7.4): 12; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)Polar Surface Area: 41.13 Å2; (9)Index of Refraction: 1.548; (10)Molar Refractivity: 45.254 cm3; (11)Molar Volume: 142.565 cm3; (12)Polarizability: 17.94×10-24 cm3; (13)Surface Tension: 38.106 dyne/cm; (14)Density: 1.138 g/cm3; (15)Flash Point: 210.395 °C; (16)Enthalpy of Vaporization: 69.319 kJ/mol; (17)Boiling Point: 436.693 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H10N2O/c12-9-6-10-8-4-2-1-3-7(8)5-11-9/h1-4,10H,5-6H2,(H,11,12)
(2)InChIKey: YDCUQJVYYWANPZ-UHFFFAOYAB
(3)Std. InChI: InChI=1S/C9H10N2O/c12-9-6-10-8-4-2-1-3-7(8)5-11-9/h1-4,10H,5-6H2,(H,11,12)
(4)Std. InChIKey: YDCUQJVYYWANPZ-UHFFFAOYSA-N