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CAS No.: | 98623-16-6 |
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Name: | 4-AMINO-N-METHYLBENZENETHANASULFONAMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H14N2O2S |
Molecular Weight: | 214.288 |
Synonyms: | 2-(4-Aminophenyl)ethanesulfonicacid methylamide;N-Methyl-2-(4-aminophenyl)ethanesulfonamide;benzeneethanesulfonamide, 4-amino-N-methyl-; |
Density: | 1.253 g/cm3 |
Boiling Point: | 398.8 °C at 760 mmHg |
Flash Point: | 195 °C |
PSA: | 80.57000 |
LogP: | 2.41340 |
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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