Basic information
- CAS
16414-63-4- Standard SMILES
CC(=O)CN.Cc1ccc(S(=O)(=O)O)cc1- InChIKey
PMUHDRFUEWKRGW-UHFFFAOYSA-N- Molecular formula
- C10H15NO4S
- Average molar mass
- 245.3 g/mol
- Monoisotopic mass
- 245.07217913
Names & identifiers
- Preferred name
- 1-Aminopropan-2-one;4-methylbenzenesulfonic acid
- IUPAC
- 1-aminopropan-2-one;4-methylbenzenesulfonic acid
Names & synonyms
16414-63-4NSC231882DTXSID00330253NSC-2318824-Methylbenzene-1-sulfonic acid--1-aminopropan-2-one (1/1)
Database identifiers
- CAS
16414-63-4- PubChem CID
- 428253
- DTXSID
DTXSID00330253
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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