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| CAS No.: | 3238-75-3 |
|---|---|
| Name: | 2-DIPROPYLAMINO-ETHANOL |
| Article Data: | 19 |
| Molecular Structure: | |
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| Formula: | C8H19NO |
| Molecular Weight: | 145.245 |
| Synonyms: | 2-(Dipropylamino)ethanol;Dipropylethanolamine;N,N-Dipropylethanolamine;NSC 165673;2-(dipropylamino)ethanol;Ethanol, 2-(dipropylamino)-; |
| EINECS: | 221-802-9 |
| Density: | 0.878 g/cm3 |
| Boiling Point: | 208.2 °C at 760 mmHg |
| Flash Point: | 65.6 °C |
| PSA: | 23.47000 |
| LogP: | 1.10070 |
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Specification
The Ethanol,2-(dipropylamino)-, with the CAS registry number 3238-75-3 and EINECS registry number 221-802-9, has the systematic name and IUPAC name of 2-(dipropylamino)ethanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H19NO.
The characteristics of Ethanol,2-(dipropylamino)- are as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): 0.19; (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): 5.63; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 44.36 cm3; (15)Molar Volume: 165.3 cm3; (16)Polarizability: 17.58×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.878 g/cm3; (19)Flash Point: 65.6 °C; (20)Enthalpy of Vaporization: 51.7 kJ/mol; (21)Boiling Point: 208.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0502 mmHg at 25°C.
Uses of Ethanol,2-(dipropylamino)-: It can react with 1-chloro-propane to produce (2-propoxy-ethyl)-dipropyl-amine. This reaction will need reagent 50% NaOH, catalyst Adogen 464, and the menstruum tetrahydrofuran. The reaction time is 6 hours with temperature of 20°C, and the yield is about 41%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCN(CCC)CCC
(2)InChI: InChI=1/C8H19NO/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3
(3)InChIKey: SWKPGMVENNYLFK-UHFFFAOYAV