Basic Information | Post buying leads | Suppliers |
Name |
Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- |
EINECS | N/A |
CAS No. | 3572-85-8 | Density | 1.37 g/cm3 |
PSA | 65.99000 | LogP | 1.86880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H11NO3S | Boiling Point | 370.9 °C at 760 mmHg |
Molecular Weight | 201.246 | Flash Point | 178.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(4-Hydroxyphenyl)methyl(methylsulfonyl)amine; |
The Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl-, with the CAS registry number of 3572-85-8, is also known as (4-Hydroxyphenyl)methyl(methylsulfonyl)amine. Its molecular formula is C8H11NO3S and molecular weight is 201.242840. What's more, its IUPAC name is N-(4-Hydroxyphenyl)-N-methylmethanesulfonamide. This chemical's classification code is Drug / Therapeutic Agent.
Physical properties about the Methanesulfonamide,N-(4-hydroxyphenyl)-N-methyl- are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 54.99 Å2; (7)Index of Refraction: 1.599; (8)Molar Refractivity: 50.23 cm3; (9)Molar Volume: 146.8 cm3; (10)Surface Tension: 59.2 dyne/cm; (11)Density: 1.37 g/cm3; (12)Flash Point: 178.1 °C; (13)Enthalpy of Vaporization: 64.21 kJ/mol; (14)Boiling Point: 370.9 °C at 760 mmHg; (15)Vapour Pressure: 5.03E-06 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce N-Methyl-N-(4-oxiranylmethoxy-phenyl)-methanesulfonamide. This reaction needs reagent NaOH. The reaction time is 10 h. The yield is about 74 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(N(c1ccc(O)cc1)C)C
(2) InChI: InChI=1/C8H11NO3S/c1-9(13(2,11)12)7-3-5-8(10)6-4-7/h3-6,10H,1-2H3
(3) InChIKey: UTJCBWGFCODDEI-UHFFFAOYAP
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2gm/kg (2000mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 18, Pg. 128, 1962. |