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| CAS No.: | 6579-55-1 |
|---|---|
| Name: | 1-[(2-hydroxyethyl)amino]propan-2-ol |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C5H13NO2 |
| Molecular Weight: | 119.164 |
| Synonyms: | 1-[(2-Hydroxyethyl)amino]-2-propanol;Ethanolisopropanolamine;NSC 86953; |
| EINECS: | 229-507-7 |
| Density: | 1.033 g/cm3 |
| Boiling Point: | 248.7 °C at 760 mmHg |
| Flash Point: | 129.5 °C |
| PSA: | 52.49000 |
| LogP: | -0.66000 |
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- Total:14 Page 1 of 1 1
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Specification
The 2-Propanol,1-[(2-hydroxyethyl)amino]-, with the CAS registry number 6579-55-1, is also known as Ethanolisopropanolamine. Its EINECS number is 229-507-7. This chemical's molecular formula is C5H13NO2 and molecular weight is 119.16. What's more, its systematic name is 1-[(2-Hydroxyethyl)amino]propan-2-ol.
Physical properties of 2-Propanol,1-[(2-hydroxyethyl)amino]- are: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.11; (4)ACD/LogD (pH 7.4): -2.74; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 31.83 cm3; (15)Molar Volume: 115.2 cm3; (16)Polarizability: 12.62×10-24 cm3; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.033 g/cm3; (19)Flash Point: 129.5 °C; (20)Enthalpy of Vaporization: 56.46 kJ/mol; (21)Boiling Point: 248.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00385 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-amino-propan-2-ol and 2-chloro-ethanol at the temperature of 120 °C. This reaction will need reagent sodium carbonate with the reaction time of 24 hours. The yield is about 61%.
![2-Propanol,1-[(2-hydroxyethyl)amino]- can be prepared by 1-amino-propan-2-ol and 2-chloro-ethanol at the temperature of 120 °C](/UserFilesUpload/Preparation of 2-Propanol,1-[(2-hydroxyethyl)amino]-.png)
Uses of 2-Propanol,1-[(2-hydroxyethyl)amino]-: it can be used to produce 14-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane. It will need reagent t-BuOK and solvents 2-methyl-propan-2-ol, dioxane with the reaction time of 2 hours. The yield is about 39%.
![2-Propanol,1-[(2-hydroxyethyl)amino]- can be used to produce 14-methyl-1,4,7,10,13-pentaoxa-16-azacyclooctadecane](/UserFilesUpload/Uses of 2-Propanol,1-[(2-hydroxyethyl)amino]-.png)
You can still convert the following datas into molecular structure:
(1)SMILES: OCCNCC(O)C
(2)InChI: InChI=1S/C5H13NO2/c1-5(8)4-6-2-3-7/h5-8H,2-4H2,1H3
(3)InChIKey: GBAXGHVGQJHFQL-UHFFFAOYSA-N