N-Methyltaurine supplier | CasNO.107-68-6

Name
N-Methyltaurine
EINECS 203-510-3
CAS No. 107-68-6
Article Data27
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 242 °C
Formula C₃H₉NO₃S
Boiling Point
Molecular Weight 139.175
Flash Point
Transport Information
Appearance white crystalline powder, odorless
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethanesulfonic acid, 2-(methylamino)-;NSC 10479;Monomethyltaurine;Methyltaurine;2-(Methylamino)ethanesulfonic acid;Taurine,N-methyl- (6CI,7CI,8CI);
PSA 74.78000
LogP 0.56530

N-Methyltaurine Specification

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

Product Name

N-Methyltaurine

N-Methyltaurine Specification

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