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| CAS No.: | 2933-74-6 |
|---|---|
| Name: | Ethanol, 2-(4-methylphenyl)amino- |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C9H13NO |
| Molecular Weight: | 151.208 |
| Synonyms: | Ethanol, 2-[(4-methylphenyl)amino]-;N,N-(2-Hydroxyethyl)-p-toluidine;2-p-Tolylamino-ethanol;N-hydroxyethyl-p-toluidine; |
| Density: | 1.086 g/cm3 |
| Melting Point: | 42.5°C |
| Boiling Point: | 286.999 °C at 760 mmHg |
| Flash Point: | 140.541 °C |
| PSA: | 32.26000 |
| LogP: | 1.47220 |
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Specification
The 2-[(4-methylphenyl)amino]ethanol, with the CAS registry number 2933-74-6, is also called N,N-(2-Hydroxyethyl)-p-toluidine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H13NO.
The characteristics of 2-[(4-methylphenyl)amino]ethanol are as followings: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.368; (4)ACD/LogD (pH 7.4): 1.486; (5)ACD/BCF (pH 5.5): 6.031; (6)ACD/BCF (pH 7.4): 7.926; (7)ACD/KOC (pH 5.5): 116.414; (8)ACD/KOC (pH 7.4): 152.999; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.26 Å2; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 46.855 cm3; (15)Molar Volume: 139.178 cm3; (16)Polarizability: 18.575×10-24cm3; (17)Surface Tension: 44.926 dyne/cm; (18)Density: 1.086 g/cm3; (19)Flash Point: 140.541 °C; (20)Enthalpy of Vaporization: 55.569 kJ/mol; (21)Boiling Point: 286.999 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
Uses of 2-[(4-methylphenyl)amino]ethanol: It can react with acetaldehyde to produce 2-methyl-3-p-tolyl-oxazolidine. This reaction will need reagent molecular sieves (3 Angstroem), and the menstruum CH2Cl2. And the yield is about 92%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(cc1)NCCO
(2)InChI: InChI=1/C9H13NO/c1-8-2-4-9(5-3-8)10-6-7-11/h2-5,10-11H,6-7H2,1H3
(3)InChIKey: YVJVQYNIANZFFM-UHFFFAOYAT