4-Amino-N-methylbenzeneethanesulfonamide supplier

Name
4-AMINO-N-METHYLBENZENETHANASULFONAMIDE
EINECS
CAS No. 98623-16-6
Article Data3
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point
Formula C₉H₁₄N₂O₂S
Boiling Point 398.8 °C at 760 mmHg
Molecular Weight 214.288
Flash Point 195 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Aminophenyl)ethanesulfonicacid methylamide;N-Methyl-2-(4-aminophenyl)ethanesulfonamide;benzeneethanesulfonamide, 4-amino-N-methyl-;
PSA 80.57000
LogP 2.41340

4-Amino-N-methylbenzeneethanesulfonamide Specification

The 4-Amino-N-methylbenzeneethanesulfonamide, with the CAS registry number 98623-16-6, is also called benzeneethanesulfonamide, 4-amino-N-methyl-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₁₄N₂O₂S.

The characteristics of 4-Amino-N-methylbenzeneethanesulfonamide are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20; (5)ACD/KOC (pH 7.4): 22.58; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 80.57 Å²; (10)Index of Refraction: 1.578; (11)Molar Refractivity: 56.72 cm³; (12)Molar Volume: 170.8 cm³; (13)Polarizability: 22.48×10^-24cm³; (14)Surface Tension: 52.7 dyne/cm; (15)Density: 1.253 g/cm³; (16)Flash Point: 195 °C; (17)Enthalpy of Vaporization: 64.95 kJ/mol; (18)Boiling Point: 398.8 °C at 760 mmHg; (19)Vapour Pressure: 1.43E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Nc1ccc(CCS(=O)(=O)NC)cc1
(2)InChI: InChI=1/C9H14N2O2S/c1-11-14(12,13)7-6-8-2-4-9(10)5-3-8/h2-5,11H,6-7,10H2,1H3
(3)InChIKey: SDXLSPCIRDEJKT-UHFFFAOYAP

Product Name

4-AMINO-N-METHYLBENZENETHANASULFONAMIDE

4-Amino-N-methylbenzeneethanesulfonamide Specification

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