1H-1,4-Diazepine, hexahydro-1-phenyl- supplier

Name
1-Phenyl-[1,4]diazepane
EINECS
CAS No. 61903-27-3
Article Data6
CAS DataBase
Density 1.004 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆N₂
Boiling Point 300.056 °C at 760 mmHg
Molecular Weight 176.261
Flash Point 137.559 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-1,4-diazepane;
PSA 15.27000
LogP 1.88010

1H-1,4-Diazepine, hexahydro-1-phenyl- Specification

This chemical is called 1H-1,4-Diazepine, hexahydro-1-phenyl-, and its CAS registry number is 61903-27-3. With the molecular formula of C₁₁H₁₆N₂, its molecular weight is 176.26. Additionally, its product category is Pharmacetical.

Other characteristics of the 1H-1,4-Diazepine, hexahydro-1-phenyl- can be summarised as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (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: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.27 Å²; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 54.417 cm³; (15)Molar Volume: 175.473 cm³; (16)Polarizability: 21.573×10^-24cm³; (17)Surface Tension: 35.744 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 137.559 °C; (20)Enthalpy of Vaporization: 54.01 kJ/mol; (21)Boiling Point: 300.056 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: c1ccccc1N2CCCNCC2
2.InChI: InChI=1/C11H16N2/c1-2-5-11(6-3-1)13-9-4-7-12-8-10-13/h1-3,5-6,12H,4,7-10H2
3.InChIKey: FAJGKPMGLMWSKW-UHFFFAOYAF

Product Name

1-Phenyl-[1,4]diazepane

1H-1,4-Diazepine, hexahydro-1-phenyl- Specification

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