Basic information
- Standard SMILES
C=CC(=O)NC(C)(C)CS(=O)(=O)O- InChIKey
XHZPRMZZQOIPDS-UHFFFAOYSA-N- Molecular formula
- C7H13NO4S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.0565289
Overview
2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid is an organosulfonic acid.
Names & identifiers
- Preferred name
- 2-Acrylamido-2-methyl-1-propanesulfonic acid
- IUPAC
- 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonic acid
Names & synonyms
2-Acrylamido-2-methyl-1-propanesulfonic acidAtBSDTXSID5027770acryloyldimethyltaurineLUBRIZOL AMPSTBAS-Q1-Propanesulfonic acid, 2-acrylamido-2-methyl-DTXCID207770tert-butylacrylamidosulfonic acidacrylamide tert-butylsulfonic acidacrylamidomethylpropanesulfonic acid2-acrylamido-2-methylpropylsulfonic acid
Show more names
2-ACRYLAMIDO-2,2-DIMETHYLETHANESULFONIC ACIDRefChem:6738239-268-015214-89-82-Acrylamide-2-methylpropanesulfonic acid2-Acrylamido-2-methylpropanesulfonic acid2-acrylamido-2-methylpropane-1-sulfonic acid2-Acrylamido-2-methylpropanesulfonate
Database identifiers
- CAS
15214-89-8- PubChem CID
- 65360
- DTXSID
DTXSID5027770- ChEMBL
CHEMBL1907040- ChEBI
CHEBI:166476- UNII
- 490HQE5KI5
- EC Number
- 239-268-0
- Nikkaji
- J38.141A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Melting Point185.5 - 186 °C
Physical Description
Liquid; Large Crystals; Other Solid; Dry Powder
Solid
Collision Cross Section141.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5027770]
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.7% (9 of 516) of reports.
Danger
H302+H332 (13%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 516 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propenyl)amino]-
1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 21-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15200
Hazard Classes and CategoriesAcute Tox. 4 (97.3%)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
U.S. Production2023: 25,000,000 - <40,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesOther
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
1-Propanesulfonic acid, 2-methyl-2-[(1-oxo-2-propen-1-yl)amino]-: ACTIVE
Related reactions
17 records
Linked notes
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