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| CAS No.: | 4327-84-8 |
|---|---|
| Name: | N-Ethyl-N-(2-hydroxyethyl)-1,4-phenylenediamine sulfate |
| Molecular Structure: | |
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| Formula: | C10H16N2O.H2SO4 |
| Molecular Weight: | 278.33 |
| Synonyms: | CD-32;4-Amino-N-(2-Hydroxyethyl)-N-Ethylaniline Sulfate;N-Ethyl-N-( beta -hydroxyethyl)p-phenyldiamine sulfate;Droxychrome;Ethanol,2-[(4-aminophenyl)ethylamino]-,sulfate (1:1) (salt); |
| EINECS: | 224-361-0 |
| Melting Point: | 177-179 °C (dec.) |
| Boiling Point: | 344.7 °C at 760 mmHg |
| Flash Point: | 162.3 °C |
| Solubility: | almost transparency |
| Appearance: | White powder |
| Hazard Symbols: | T |
| Risk Codes: | 25 |
| Safety: | 22-24/25 |
| PSA: | 132.47000 |
| LogP: | 2.09660 |
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Specification
The systematic name of N-Ethyl-N-(2-hydroxyethyl)-1,4-phenylenediamine sulfate is 2-[(4-aminophenyl)(ethyl)amino]ethanol sulfate (salt). With the CAS registry number 4327-84-8, it is also named as 2-(4-Amino-N-ethylanilino)ethanol sulfate. The product's categories are Intermediates of Dyes and Pigments; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. It is white powder which is stable under normal temperature and pressure. When using it, people should not breathe dust and avoid contact with skin and eyes. Additionally, this chemical should be sealed in the container, stored in the cool and dry place and avoided direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.26; (4)ACD/LogD (pH 7.4): 0.24; (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): 23.77; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 15.71 Å2; (13)Flash Point: 162.3 °C; (14)Enthalpy of Vaporization: 62.13 kJ/mol; (15)Boiling Point: 344.7 °C at 760 mmHg; (16)Vapour Pressure: 2.46E-05 mmHg at 25°C.
Uses of N-Ethyl-N-(2-hydroxyethyl)-1,4-phenylenediamine sulfate: It can react with 5-methanesulfonyl-furan-2-carbaldehyde to get 2-(ethyl-{4-[(5-methanesulfonyl-furan-2-ylmethylene)-amino]-phenyl}-amino)-ethanol. This reaction needs reagent Et3N and solvent CH2Cl2 at ambient temperature. The reaction time is 2 hours. The yield is 70%.
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People can use the following data to convert to the molecule structure.
1. SMILES:O=S(=O)(O)O.OCCN(c1ccc(cc1)N)CC
2. InChI:InChI=1/C10H16N2O.H2O4S/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4/h3-6,13H,2,7-8,11H2,1H3;(H2,1,2,3,4)
3. InChIKey:KAJALVWKFPQZOO-UHFFFAOYAT