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CAS No.: | 3899-93-2 |
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Name: | Phenol,4-amino-, 1-(4-methylbenzenesulfonate) |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C13H13NO3S |
Molecular Weight: | 263.317 |
Synonyms: | Phenol,4-amino-, 4-methylbenzenesulfonate (ester) (9CI);Phenol, p-amino-, p-toluenesulfonate (ester) (7CI,8CI);4-(4-Toluenesulfonyloxy)aniline;4-Aminophenyl tosylate;4-Methylbenzenesulfonic acid4-aminophenyl ester;p-Toluenesulfonic acid p-aminophenyl ester; |
Density: | 1.305 g/cm3 |
Boiling Point: | 440.5 °C at 760 mmHg |
Flash Point: | 220.2 °C |
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The Phenol,4-amino-, 1-(4-methylbenzenesulfonate) is an organic compound with the formula C13H13NO3S. The systematic name of this chemical is 2-aminophenyl 4-methylbenzenesulfonate. With the CAS registry number 3899-93-2, it is also named as Toluene-4-sulfonic acid 2-amino-phenyl ester.
Physical properties about Phenol,4-amino-, 1-(4-methylbenzenesulfonate) are: (1)ACD/LogP: 2.30; (2)ACD/LogD (pH 5.5): 2.3; (3)ACD/LogD (pH 7.4): 2.3; (4)ACD/BCF (pH 5.5): 33.03; (5)ACD/BCF (pH 7.4): 33.08; (6)ACD/KOC (pH 5.5): 425.29; (7)ACD/KOC (pH 7.4): 425.9; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 77.77 Å2; (12)Index of Refraction: 1.613; (13)Molar Refractivity: 70.26 cm3; (14)Molar Volume: 201.6 cm3; (15)Polarizability: 27.85×10-24cm3; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.305 g/cm3; (18)Flash Point: 220.2 °C; (19)Enthalpy of Vaporization: 69.76 kJ/mol; (20)Boiling Point: 440.5 °C at 760 mmHg; (21)Vapour Pressure: 5.87E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Oc1ccccc1N)c2ccc(C)cc2
(2)InChI: InChI=1/C13H13NO3S/c1-10-6-8-11(9-7-10)18(15,16)17-13-5-3-2-4-12(13)14/h2-9H,14H2,1H3
(3)InChIKey: CUIMKKRVBCYKOP-UHFFFAOYAL