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Name |
N-Methyltaurine |
EINECS | 203-510-3 |
CAS No. | 107-68-6 | Density | 1.32 g/cm3 |
PSA | 74.78000 | LogP | 0.56530 |
Solubility | N/A | Melting Point |
242 °C |
Formula | C3H9NO3S | Boiling Point | N/A |
Molecular Weight | 139.175 | Flash Point | N/A |
Transport Information | N/A | Appearance | white crystalline powder, odorless |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethanesulfonic acid, 2-(methylamino)-;NSC 10479;Monomethyltaurine;Methyltaurine;2-(Methylamino)ethanesulfonic acid;Taurine,N-methyl- (6CI,7CI,8CI); |
Article Data | 27 |
The N-Methyltaurine, with the CAS registry number 107-68-6, is also known as Ethanesulfonic acid, 2-(methylamino)-. Its EINECS number is 203-510-3. This chemical's molecular formula is C3H9NO3S and molecular weight is 139.17. What's more, its IUPAC name is 2-(methylamino)ethanesulfonic acid.
Physical properties of N-Methyltaurine are: (1)ACD/LogP: -2.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.73; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 54.99 Å2; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 29.93 cm3; (12)Molar Volume: 105.4 cm3; (13)Surface Tension: 49.3 dyne/cm; (14)Density: 1.32 g/cm3.
Uses of N-Methyltaurine: it can be used to produce propylamine at the temperature of 90 °C. It will need reagent PCl5, POCl3. The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNCCS(=O)(=O)O
(2)InChI: InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
(3)InChIKey: SUZRRICLUFMAQD-UHFFFAOYSA-N