1-BENZYL-1,4-DIAZEPANE

The 1-Benzyl-1,4-diazepane, with the CAS registry number 4410-12-2, is also known as 1-Benzylhomopiperazine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₂H₁₈N₂ and molecular weight is 190.28. What's more, its systematic name is 1-Benzyl-1,4-diazepane. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light.

Physical properties of 1-Benzyl-1,4-diazepane are: (1)ACD/LogP: 1.404; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.41; (4)ACD/LogD (pH 7.4): -1.19; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 15.27 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 59.14 cm³; (15)Molar Volume: 189.59 cm³; (16)Polarizability: 23.445×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 116.22 °C; (20)Enthalpy of Vaporization: 52.558 kJ/mol; (21)Boiling Point: 286.465 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccccc1)CN2CCCNCC2
(2)Std. InChI: InChI=1S/C12H18N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h1-3,5-6,13H,4,7-11H2
(3)Std. InChIKey: JTJTYCPQUOROFM-UHFFFAOYSA-N