5H-1,4-Diazepin-5-one,hexahydro-1-phenyl- supplier

Name
1-Phenyl-[1,4]diazepan-5-one
EINECS
CAS No. 55186-91-9
Density 1.106 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄N₂O
Boiling Point 407.8 °C at 760 mmHg
Molecular Weight 190.245
Flash Point 200.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-[1,4]diazepan-5-one
PSA 35.83000
LogP 1.35380

5H-1,4-Diazepin-5-one,hexahydro-1-phenyl- Specification

The 5H-1,4-Diazepin-5-one,hexahydro-1-phenyl- with CAS registry number of 55186-91-9 belongs to the class of Pharmacetical. The IUPAC name is 1-phenyl-1,4-diazepan-5-one. In addition, the formula is C₁₁H₁₄N₂O and the molecular weight is 190.2417.

Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 32.34 Å²; (6)Index of Refraction: 1.547; (7)Molar Refractivity: 54.54 cm³; (8)Molar Volume: 171.9 cm³; (9)Polarizability: 21.62 ×10^-24cm³; (10)Surface Tension: 40.6 dyne/cm; (11)Density: 1.106 g/cm³; (12)Flash Point: 200.4 °C; (13)Enthalpy of Vaporization: 65.98 kJ/mol; (14)Boiling Point: 407.8 °C at 760 mmHg; (15)Vapour Pressure: 7.33E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCN(CCN1)c2ccccc2
(2)InChI: InChI=1/C11H14N2O/c14-11-6-8-13(9-7-12-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
(3)InChIKey: NQBVEGQURCFGSH-UHFFFAOYAT

Product Name

1-Phenyl-[1,4]diazepan-5-one

5H-1,4-Diazepin-5-one,hexahydro-1-phenyl- Specification

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