Basic information
- CAS
107-68-6- Standard SMILES
CNCCS(=O)(=O)O- InChIKey
SUZRRICLUFMAQD-UHFFFAOYSA-N- Molecular formula
- C3H9NO3S
- Average molar mass
- 139.18 g/mol
- Monoisotopic mass
- 139.03031432
Names & identifiers
- Preferred name
- N-Methyltaurine
- IUPAC
- 2-(methylamino)ethanesulfonic acid
- English name
- N-Methyltaurine
- Molecular formula
- C3H9NO3S
- Molecular weight
- 139.17
Names & synonyms
Show more names
Database identifiers
- CAS
107-68-6- PubChem CID
- 7882
- DTXSID
DTXSID4025664- ChEMBL
CHEMBL3306207- ChEBI
CHEBI:176462- UNII
- 1X4943TG5W
- EC Number
- 203-510-3
- Nikkaji
- J5.061J
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 133
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 242 °C · 242°C
- Density
- 1.202 · 1.202 (estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 0.94 · 0.94±0.50(Predicted)
- form
- solid
- color
- White to off-white
- InChI
- InChI=1S/C3H9NO3S/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H,5,6,7)
- InChIKey
- SUZRRICLUFMAQD-UHFFFAOYSA-N
- SMILES
- C(S(O)(=O)=O)CNC
- CAS DataBase Reference
- 107 · 107-68-6
- FDA UNII
- 1 X4943TG5W · 1X4943TG5W
- EPA Substance Registry System
- N-Methyltaurine (107-68-6)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (75%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (69.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P332+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 124 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Ethanesulfonic acid, 2-(methylamino)-
N-Methyltaurine: Does not have an individual approval but may be used under an appropriate group standard
Safety & protection
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992)
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Regulatory information
Regulatory Information
Chemical: Ethanesulfonic acid, 2-(methylamino)-
N-Methyltaurine: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesN-Methyltaurine can be used as a counter ion in the formation of soaps.
UsesIntermediate for detergents, dyestuffs, pharma-ceuticals and other organics.
General DescriptionYellowish-white powder.
Suppliers59 total
Additional notes
DefinitionAvailable in commercialquantities as an aqueous solution of the sodiumsalt.
Related reactions
Compound notes
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