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| CAS No.: | 92-60-4 |
|---|---|
| Name: | 4-((Ethylanilino)methyl)benzenesulphonic acid |
| Molecular Structure: | |
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| Formula: | C15H17NO3S |
| Molecular Weight: | 291.371 |
| Synonyms: | p-Toluenesulfonicacid, a-(N-ethylanilino)- (6CI,7CI,8CI);NSC 8644;a-(N-Ethylanilino)-p-toluenesulfonicacid;alpha-(N-Ethylanilino)-p-toluenesulfonic acid;4-{[Ethyl(phenyl)amino]methyl}benzenesulfonic acid; |
| EINECS: | 202-170-3 |
| Density: | 1.281 g/cm3 |
| Melting Point: | 92-96 °C(lit.) |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 65.99000 |
| LogP: | 4.04060 |
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- Total:25 Page 1 of 1 1
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Specification
The Benzenesulfonic acid,4-[(ethylphenylamino)methyl]-, with the CAS registry number 92-60-4, is also known as alpha-(N-Ethylanilino)-p-toluenesulfonic acid. Its EINECS number is 202-170-3. This chemical's molecular formula is C15H17NO3S and molecular weight is 291.37. What's more, its systematic name is 4-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid.
Physical properties of Benzenesulfonic acid,4-[(ethylphenylamino)methyl]- are: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.05; (4)ACD/LogD (pH 7.4): -0.49; (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: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 54.99 Å2; (13)Index of Refraction: 1.617; (14)Molar Refractivity: 79.58 cm3; (15)Molar Volume: 227.4 cm3; (16)Polarizability: 31.54×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.281 g/cm3.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1ccc(cc1)CN(c2ccccc2)CC
(2)Std. InChI: InChI=1S/C15H17NO3S/c1-2-16(14-6-4-3-5-7-14)12-13-8-10-15(11-9-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)
(3)Std. InChIKey: HSBRAZWXTOKJQF-UHFFFAOYSA-N