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Diethyl-[(2R)-2-hydroxypropyl]azanium

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Name

Diethyl-[(2R)-2-hydroxypropyl]azanium

EINECS 224-537-7
CAS No. 4402-32-8 Density 0.879 g/cm3
PSA 23.47000 LogP 0.70900
Solubility N/A Melting Point 13.5 °C(lit.)
Formula C7H17NO Boiling Point 156.5 °C at 760 mmHg
Molecular Weight 131.218 Flash Point 33.3 °C
Transport Information UN 1987 Appearance clear colorless to slightly yellow liquid
Safety 24/25 Risk Codes 10-36/37/38
Molecular Structure Molecular Structure of 4402-32-8 (Diethyl-[(2R)-2-hydroxypropyl]azanium) Hazard Symbols IrritantXi
Synonyms

1-(Diethylamino)-2-propanol;1-diethylaminopropan-2-ol;diethyl-[(2S)-2-hydroxypropyl]azanium;2-Propanol, 1- (diethylamino)-;

Article Data 29

Diethyl-[(2R)-2-hydroxypropyl]azanium Specification

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 %.

Diethyl-[(2R)-2-hydroxypropyl]azanium can be prepared by methyloxirane and diethylamine

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 %.

Diethyl-[(2R)-2-hydroxypropyl]azanium can be used to produce 1-(Diethylamino)-2-acetoacetoxypropane

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

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