CAS No.28544-83-4,1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28544-83-4
Name:	1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one
Article Data:	7

Formula:	C₉H₁₀N₂O
Molecular Weight:	162.1885
Synonyms:	1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one;
Density:	1.137 g/cm³
Melting Point:	143-145 °C
Boiling Point:	376.1 °C at 760 mmHg
Flash Point:	178.7 °C
PSA:	41.13000
LogP:	1.71670

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Specification

The CAS register number of 5H-1,4-Benzodiazepin-5-one,1,2,3,4-tetrahydro- is 28544-83-4. It also can be called as 1,2,3,4-tetrahydrobenzo(e)(1,4)diazepin-5-one and the systematic name about this chemical is 1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one. The molecular formula about this chemical is C₉H₁₀N₂O and the molecular weight is 162.1885.

Physical properties about 5H-1,4-Benzodiazepin-5-one,1,2,3,4-tetrahydro- are: (1)ACD/LogP: 0.75; (2)ACD/LogD (pH 5.5): 0.73; (3)ACD/LogD (pH 7.4): 0.75; (4)ACD/BCF (pH 5.5): 2.1; (5)ACD/BCF (pH 7.4): 2.18; (6)ACD/KOC (pH 5.5): 58.47; (7)ACD/KOC (pH 7.4): 60.79; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 23.55 Å²; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 45.25 cm³; (13)Molar Volume: 142.5 cm³; (14)Polarizability: 17.94x10^-24cm³; (15)Surface Tension: 38.1 dyne/cm; (16)Density: 1.137 g/cm³; (17)Flash Point: 178.7 °C; (18)Enthalpy of Vaporization: 62.36 kJ/mol; (19)Boiling Point: 376.1 °C at 760 mmHg; (20)Vapour Pressure: 7.45E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1c(cccc1)NCC2
(2)InChI: InChI=1/C9H10N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12)
(3)InChIKey: XTDMZEZDXXJVMK-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H10N2O/c12-9-5-6-10-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12)
(5)Std. InChIKey: XTDMZEZDXXJVMK-UHFFFAOYSA-N