2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro- supplier

Name
4,5-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE
EINECS
CAS No. 1824-72-2
Article Data3
CAS DataBase
Density 1.137 g/cm³
Solubility
Melting Point
Formula C₉H₁₀N₂O
Boiling Point 365.6 °C at 760 mmHg
Molecular Weight 162.191
Flash Point 173.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,5-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE
PSA 41.13000
LogP 1.19510

2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro- Specification

This chemical is called 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro-, and it can also be named as Tetrahydro-1,4-benzodiazepin-2-one. With the molecular formula of C₉H₁₀N₂O, its molecular weight is 162.19. The CAS registry number of this chemical is 1824-72-2.

Other characteristics of the 2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro- can be summarised as followings: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.95; (7)ACD/KOC (pH 7.4): 23.77; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 23.55 Å²; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 45.25 cm³; (14)Molar Volume: 142.5 cm³; (15)Polarizability: 17.94×10^-24cm³; (16)Surface Tension: 38.1 dyne/cm; (17)Density: 1.137 g/cm³; (18)Flash Point: 173.1 °C; (19)Enthalpy of Vaporization: 61.19 kJ/mol; (20)Boiling Point: 365.6 °C at 760 mmHg; (21)Vapour Pressure: 1.55E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2Nc1c(cccc1)CNC2
2.InChI: InChI=1/C9H10N2O/c12-9-6-10-5-7-3-1-2-4-8(7)11-9/h1-4,10H,5-6H2,(H,11,12)
3.InChIKey: ROXAFEIDZVHGFX-UHFFFAOYAI

Product Name

4,5-DIHYDRO-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE

2H-1,4-Benzodiazepin-2-one, 1,3,4,5-tetrahydro- Specification

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