Methanesulfonic acid, 1-(phenylamino)-, sodium salt, hydrate (1:1:1)
Basic information
- CAS
69340-12-1- Standard SMILES
O.O=S(=O)([O-])CNc1ccccc1.[Na+]- InChIKey
HSSXXGHERYJWPB-UHFFFAOYSA-M- Molecular formula
- C7H10NNaO4S
- Average molar mass
- 227.22 g/mol
- Monoisotopic mass
- 227.02282326
Names & identifiers
- Preferred name
- Methanesulfonic acid, 1-(phenylamino)-, sodium salt, hydrate (1:1:1)
- IUPAC
- sodium;anilinomethanesulfonate;hydrate
Names & synonyms
DTXSID101383066Methanesulfonic acid, 1-(phenylamino)-, sodium salt, hydrate (1:1:1)69340-12-1
Database identifiers
- CAS
69340-12-1- PubChem CID
- 129697447
- DTXSID
DTXSID101383066
Properties
Computed structural properties
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
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Compound notes
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