N-(2-HYDROXYETHYL)HEXAMETHYLENEIMINE

The IUPAC name of Hexahydro-1H-azepine-1-ethanol is 2-(azepan-1-yl)ethanol. With the CAS registry number 20603-00-3, it is also named as N-β-Hydroxyethyl hexamethyleneimine. Besides, it is clear colorless viscous liquid, which should be stored in closed containers in a cool, dry place. In addition, its molecular formula is C₈H₁₇NO and molecular weight is 143.23.

The other characteristics of this product can be summarized as: (1)EINECS: 243-915-2; (2)ACD/LogP: 1.62; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.34; (5)ACD/LogD (pH 7.4): 0; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 4.31; (10)#H bond acceptors: 2; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 12.47 Å²; (14)Index of Refraction: 1.472; (15)Molar Refractivity: 42.09 cm³; (16)Molar Volume: 150.3 cm³; (17)Polarizability: 16.68×10^-24cm³; (18)Surface Tension: 34.4 dyne/cm; (19)Density: 0.952 g/cm³; (20)Flash Point: 99.5 °C; (21)Enthalpy of Vaporization: 54.39 kJ/mol; (22)Boiling Point: 231.3 °C at 760 mmHg; (23)Vapour Pressure: 0.0119 mmHg at 25 °C.

Preparation of Hexahydro-1H-azepine-1-ethanol: this chemical can be prepared by the reaction of 2-Amino-ethanol with Hexanedial.



This reaction needs reagent 1M KOH, HFe(CO)₄^-, CO and ethanol at temperature of ambient. The reaction time is 24 hours. The yield is 57 %.

Uses of Hexahydro-1H-azepine-1-ethanol: it can react with Chloro-trimethyl-silane to get Hexahydro-1-[2-(trimethylsiloxy)ethyl]azepine.



This reaction needs Sodium methoxide and Benzene at temperature of 0 °C by refluxing. The yield is 60 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. It is also harmful in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: OCCN1CCCCCC1
(2)InChI: InChI=1/C8H17NO/c10-8-7-9-5-3-1-2-4-6-9/h10H,1-8H2
(3)InChIKey: VMRYMOMQCYSPHS-UHFFFAOYAN