Basic Information | Post buying leads | Suppliers |
Name |
Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 10311-40-7 | Density | 1.2 g/cm3 |
PSA | 68.54000 | LogP | 2.95110 |
Solubility | N/A | Melting Point |
103-105°C |
Formula | C9H13NO2S | Boiling Point | 402.7 °C at 760 mmHg |
Molecular Weight | 199.274 | Flash Point | 197.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2, 6-Dimethyl-3-(methylsulfonyl)aniline; |
The Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)-, with the CAS registry number 10311-40-7, is also known as 2,6-Dimethyl-3-(methylsulfonyl)aniline. This chemical's molecular formula is C9H13NO2S and molecular weight is 199.270020. What's more, its IUPAC name is 2, 6-Dimethyl-3-methylsulfonylaniline.
Physical properties about Benzenamine, 2, 6-dimethyl-3-(methylsulfonyl)- are: (1)ACD/LogP: -0.11; (2) # of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.85; (8)ACD/KOC (pH 7.4): 20.86; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.76 Å2; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 53.06 cm3; (15)Molar Volume: 166 cm3; (16)Polarizability: 21.03×10-24 cm3; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 197.3 °C; (20)Enthalpy of Vaporization: 65.39 kJ/mol; (21)Boiling Point: 402.7 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1ccc(c(N)c1C)C)C
(2) InChI: InChI=1/C9H13NO2S/c1-6-4-5-8(13(3,11)12)7(2)9(6)10/h4-5H,10H2,1-3H3
(3) InChIKey: IAWUBBZDJUPVOE-UHFFFAOYAW