N-Methyltaurine

HCID 7882

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

N-METHYLTAURINE2-(Methylamino)ethanesulfonic acidMethyltaurineEthanesulfonic acid, 2-(methylamino)-MonomethyltaurineTaurine, methylTaurine, N-methyl-N-methyl taurineCCRIS 4847EINECS 203-510-3NSC 10479UNII-1X4943TG5W
Show more names
n-methyl2-(Methylamino)ethane-1-sulfonic acidN-METHYLTAURINE 98%N-Methyltaurine99.0%N-METHYLTAURINE 98%2-methylammonioethanesulfonate
2-methylaminoethanesulfonic acid1X4943TG5WMETHYLTAURINE, N-NSC-10479N-METHYLTAURINE [MI]DTXSID4025664.BETA.-METHYLAMINOETHANE-.ALPHA.-SULFONIC ACID2-(methylazaniumyl)ethanesulfonate

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

Experimental & physicochemical properties

SolubilitySoluble (>=10 mg/ml at 70 °F) (NTP, 1992)
Melting Point466 to 468 °F (NTP, 1992)
Physical DescriptionYellowish-white powder. (NTP, 1992)

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

Safety & regulation

GHS classification

GHS Classification · 5 items

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 · 2 items

Chemical: Ethanesulfonic acid, 2-(methylamino)-

N-Methyltaurine: Does not have an individual approval but may be used under an appropriate group standard

Fire HazardsThis compound is probably combustible. (NTP, 1992)
Reactive GroupAmines, Phosphines, and Pyridines;Acids, Weak
Air and Water ReactionsWater soluble.
Hazard Classes and CategoriesSkin Corr. 1B (75%);Skin Irrit. 2 (25%);Eye Dam. 1 (69.4%)

Safety & protection

Fire FightingFires involving this material can be controlled with a dry chemical, carabon dioxide, foam or Halon extinguisher. (NTP, 1992)
First Aid · 1 item

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 · 1 item

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) · 1 item

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 · 2 items

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 · 3 items

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

上海康恩博医药科技有限公司17510465506 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionAvailable in commercialquantities as an aqueous solution of the sodiumsalt.

Related reactions

16 records

Compound notes

Loading…