1H-1,4-Diazepine,1-(diphenylmethyl)hexahydro- supplier

Name
1-(DIPHENYLMETHYL)HEXAHYDRO-1H-1,4-DIAZEPINE
EINECS
CAS No. 30486-56-7
Article Data4
CAS DataBase
Density 1.051 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₂N₂
Boiling Point 377.3 °C at 760 mmHg
Molecular Weight 266.38
Flash Point 138.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Benzhydrylperhydro-1,4-diazepine;1-(Diphenylmethyl)-1,4-diazepane;
PSA 15.27000
LogP 3.33800

1H-1,4-Diazepine,1-(diphenylmethyl)hexahydro- Specification

The 1H-1,4-Diazepine,1-(diphenylmethyl)hexahydro-, with the CAS registry number 30486-56-7, is also known as 1-Benzhydrylperhydro-1,4-diazepine. This chemical's molecular formula is C₁₈H₂₂N₂ and molecular weight is 266.38. What's more, its systematic name is 1-(diphenylmethyl)-1,4-diazepane.

Physical properties of 1H-1,4-Diazepine,1-(diphenylmethyl)hexahydro- are: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.24; (4)ACD/LogD (pH 7.4): 0.63; (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): 3.81; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 83.54 cm³; (15)Molar Volume: 253.4 cm³; (16)Polarizability: 33.11×10^-24cm³; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 138.7 °C; (20)Enthalpy of Vaporization: 62.5 kJ/mol; (21)Boiling Point: 377.3 °C at 760 mmHg; (22)Vapour Pressure: 6.83E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1)C(c2ccccc2)N3CCCNCC3
(2)InChI: InChI=1S/C18H22N2/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)20-14-7-12-19-13-15-20/h1-6,8-11,18-19H,7,12-15H2

Product Name

1-(DIPHENYLMETHYL)HEXAHYDRO-1H-1,4-DIAZEPINE

1H-1,4-Diazepine,1-(diphenylmethyl)hexahydro- Specification

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