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Name |
4-Methylaniline-2,5-disulphonic acid |
EINECS | 247-823-3 |
CAS No. | 26585-57-9 | Density | 1.741 g/cm3 |
PSA | 151.52000 | LogP | 2.81340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9NO6S2 | Boiling Point | N/A |
Molecular Weight | 267.284 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Toluene-2,5-disulfonicacid, 4-amino- (8CI);4-Aminotoluene-2,5-disulfonic acid; |
The 4-Methylaniline-2,5-disulphonic acid with the CAS number 26585-57-9 is also called 1,4-Benzenedisulfonicacid, 2-amino-5-methyl-. Both the systematic name and IUPAC name are 2-amino-5-methylbenzene-1,4-disulfonic acid. Its molecular formula is C7H9NO6S2. The EINECS registry number is 247-823-3.
The properties of the 4-Methylaniline-2,5-disulphonic acid are: (1)ACD/LogP: -0.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.07; (4)ACD/LogD (pH 7.4): -5.07; (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: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 106.74Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 55.69 cm3; (15)Molar Volume: 153.5 cm3; (16)Polarizability: 22.07×10-24cm3; (17)Surface Tension: 81.5 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(c(cc1N)S(=O)(=O)O)C
(2)InChI: InChI=1/C7H9NO6S2/c1-4-2-7(16(12,13)14)5(8)3-6(4)15(9,10)11/h2-3H,8H2,1H3,(H,9,10,11)(H,12,13,14)
(3)InChIKey: YYRVBCBZQPTVEO-UHFFFAOYAX