2-Phenyl-[1,4]diazepane supplier

Name
2-PHENYL-[1,4]DIAZEPANE
EINECS
CAS No. 105627-85-8
Density 0.976 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂
Boiling Point 302.2 °C at 760 mmHg
Molecular Weight 176.26
Flash Point 175.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Phenyl-1,4-diazepane;
PSA 24.06000
LogP 1.96820

2-Phenyl-[1,4]diazepane Specification

The 1H-1,4-Diazepine,hexahydro-2-phenyl- has the CAS registry number 105627-85-8. This chemical's molecular formula is C₁₁H₁₆N₂ and molecular weight is 176.26. What's more, its systematic name is 2-phenyl-1,4-diazepane.

Physical properties of 1H-1,4-Diazepine,hexahydro-2-phenyl- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.88; (4)ACD/LogD (pH 7.4): -1.97; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 54.19 cm³; (15)Polarizability: 21.48×10^-24cm³; (16)Surface Tension: 35.1 dyne/cm; (17)Density: 0.976 g/cm³; (18)Flash Point: 175.3 °C; (19)Enthalpy of Vaporization: 54.24 kJ/mol; (20)Boiling Point: 302.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00101 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cccc1)C2NCCCNC2
(2)InChI: InChI=1S/C11H16N2/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-13H,4,7-9H2
(3)InChIKey: PQOLMVXRIQLMNF-UHFFFAOYSA-N

Product Name

2-PHENYL-[1,4]DIAZEPANE

2-Phenyl-[1,4]diazepane Specification

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