Methanesulfonic acid,1-[(2-methoxyphenyl)amino]- supplier

Name
[(2-methoxyphenyl)amino]methanesulphonic acid
EINECS 202-220-4
CAS No. 93-13-0
Article Data1
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point
Formula C₈H₁₁NO₄S
Boiling Point
Molecular Weight 217.246
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methanesulfonicacid, [(2-methoxyphenyl)amino]- (9CI);Methanesulfonic acid, o-anisidino-(8CI);2-Methoxyanilinomethanesulfonic acid;NSC 7549;[(2-Methoxyphenyl)amino]methanesulfonic acid;o-Anisidinomethanesulfonic acid;o-Anisidyl-N-methanesulfonic acid;[(2-methoxyphenyl)amino]methanesulfonic acid;(2-methoxyanilino)methanesulfonic acid;
PSA 84.01000
LogP 2.10620

Methanesulfonic acid,1-[(2-methoxyphenyl)amino]- Specification

The Methanesulfonic acid,1-[(2-methoxyphenyl)amino]-, with the CAS registry number 93-13-0 and EINECS registry number 202-220-4, has the IUPAC name of (2-methoxyanilino)methanesulfonic acid. And the molecular formula of the chemical is C₈H₁₁NO₄S.

The characteristics of Methanesulfonic acid,1-[(2-methoxyphenyl)amino]- are as followings: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.96; (4)ACD/LogD (pH 7.4): -4.1; (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: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 64.22 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 51.75 cm³; (15)Molar Volume: 151.4 cm³; (16)olarizability: 20.51×10^-24cm³; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.434 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)CNc1ccccc1OC
(2)InChI: InChI=1/C8H11NO4S/c1-13-8-5-3-2-4-7(8)9-6-14(10,11)12/h2-5,9H,6H2,1H3,(H,10,11,12)
(3)InChIKey: WJORFFDFYBZRJH-UHFFFAOYAO

Product Name

[(2-methoxyphenyl)amino]methanesulphonic acid

Methanesulfonic acid,1-[(2-methoxyphenyl)amino]- Specification

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