2-(1,4-Diazepan-1-yl)ethan-1-ol

The 2-(1,4-Diazepan-1-yl)ethan-1-ol, with the CAS registry number 53427-65-9, is also known as 1-(2-Hydroxyethyl)homopiperazine and 1H-1,4-Diazepine-1-ethanol, hexahydro-. It belongs to the product category of Ring Systems. This chemical's molecular formula is C₇H₁₆N₂O and molecular weight is 144.2147. What's more, both its IUPAC name and systematic name are the same which is called 2-(1,4-Diazepan-1-yl)ethanol.

Physical properties about 2-(1,4-Diazepan-1-yl)ethan-1-ol are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 35.5 Å²; (10)Index of Refraction: 1.47; (11)Molar Refractivity: 40.835 cm³; (12)Molar Volume: 146.366 cm³; (13)Surface Tension: 33.591 dyne/cm; (14)Density: 0.985 g/cm³; (15)Flash Point: 109.374 °C; (16)Enthalpy of Vaporization: 57.473 kJ/mol; (17)Boiling Point: 257.239 °C at 760 mmHg; (18)Vapour Pressure: 0.002 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. And it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C1CNCCN(C1)CCO
(2) InChI: InChI=1/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2
(3) InChIKey: IXKNVDAHLCFGCV-UHFFFAOYAL