2-Carbamoyl-1-methylpyridinium methanesulphonate
Basic information
- CAS
87141-87-5- Standard SMILES
CS(=O)(=O)[O-].C[n+]1ccccc1C(N)=O- InChIKey
NZZXIYVJOYXYHP-UHFFFAOYSA-N- Molecular formula
- C8H12N2O4S
- Average molar mass
- 232.26 g/mol
- Monoisotopic mass
- 232.05177804
Names & identifiers
- Preferred name
- 2-Carbamoyl-1-methylpyridinium methanesulphonate
- IUPAC
- methanesulfonate;1-methylpyridin-1-ium-2-carboxamide
- English name
- 2-carbamoyl-1-methylpyridinium methanesulphonate
- Molecular formula
- C8H12N2O4S
- Molecular weight
- 232.25688
Names & synonyms
87141-87-52-Carbamoyl-1-methylpyridinium methanesulphonateEINECS 289-300-2DTXSID40236149RefChem:468167DTXCID90158640289-300-2methanesulfonate;1-methylpyridin-1-ium-2-carboxamide2-Carbamoyl-N-methylpyridinium MethanesulfonatePyridinium, 2-(aminocarbonyl)-1-methyl-, methanesulfonate (1:1)DB-293001NS00066178
Show more names
2-Carbamoyl-N-methylpyridinium Meth2-Carbamoyl-1-methylpyridinium methanesulfonate
2-Carbamoyl-1-methylpyridin-1-ium methanesulfonate
Database identifiers
- CAS
87141-87-5- PubChem CID
- 13633672
- DTXSID
DTXSID40236149- EC Number
- 289-300-2
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
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Related reactions
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Compound notes
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