1-DIETHYLAMINO-2-PROPANOL

The CAS registry number of Diethyl-[(2R)-2-hydroxypropyl]azanium is 4402-32-8. This chemical is also named as 2-Propanol, 1- (diethylamino)-. Its EINECS registry number is 224-537-7. In addition, its molecular formula is C₇H₁₇NO and molecular weight is 131.22. Its systematic name and IUPAC name are the same which is called 1-(diethylamino)propan-2-ol.

Physical properties about this chemical are: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1.46; (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: 5; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 39.69 cm³; (14)Molar Volume: 149.2 cm³; (15)Surface Tension: 30.4 dyne/cm; (16)Density: 0.879 g/cm³; (17)Flash Point: 33.3 °C; (18)Enthalpy of Vaporization: 45.8 kJ/mol; (19)Boiling Point: 156.5 °C at 760 mmHg; (20)Vapour Pressure: 1.04 mmHg at 25°C.

Preparation: this chemical can be prepared by methyloxirane and diethylamine. This reaction will need catalyst LiBF₄ and solvent acetonitrile. The reaction time is 0.5 hour at ambient temperature. The yield is about 94 %.

Uses of Diethyl-[(2R)-2-hydroxypropyl]azanium: it can be used to produce 1-(Diethylamino)-2-acetoacetoxypropane at temperature of 120-130 °C. It will need solvent toluene with reaction time of 3.5 hours. The yield is about 84 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is flammable. It is irritating to eyes, respiratory system and skin. You should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)CN(CC)CC
(2)InChI: InChI=1/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3
(3)InChIKey: BHUXAQIVYLDUQV-UHFFFAOYAY