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Benzenesulfonic acid,4-methyl-3-(methylamino)-

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Name

Benzenesulfonic acid,4-methyl-3-(methylamino)-

EINECS 238-287-1
CAS No. 14338-01-3 Density 1.36 g/cm3
PSA 74.78000 LogP 2.43720
Solubility N/A Melting Point N/A
Formula C8H11NO3S Boiling Point N/A
Molecular Weight 201.246 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 14338-01-3 (2-(methylamino)toluene-4-sulphonic acid) Hazard Symbols N/A
Synonyms

p-Toluenesulfonicacid, 3-(methylamino)- (8CI);2-(Methylamino)toluene-4-sulfonic acid;NSC 89722;

 

Benzenesulfonic acid,4-methyl-3-(methylamino)- Specification

The CAS registry number of Benzenesulfonic acid,4-methyl-3-(Methylamino)- is 14338-01-3. This chemical is also named as 2-(Methylamino)toluene-4-sulphonic acid. Its EINECS registry number is 238-287-1. In addition, its molecular formula is C8H11NO3S and molecular weight is 201.24284. Its systematic name is called 4-methyl-3-(methylamino)benzenesulfonic acid.

Physical properties about Benzenesulfonic acid,4-methyl-3-(Methylamino)- are: (1)ACD/LogP: 0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.29; (4)ACD/LogD (pH 7.4): -3.43; (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: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 50 cm3; (14)Molar Volume: 147.9 cm3; (15)Surface Tension: 56.2 dyne/cm; (16)Density: 1.36 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)c1cc(NC)c(cc1)C
(2)InChI: InChI=1/C8H11NO3S/c1-6-3-4-7(13(10,11)12)5-8(6)9-2/h3-5,9H,1-2H3,(H,10,11,12)
(3)InChIKey: JGRPAFZFWIYCMC-UHFFFAOYAD

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