8-[Acetyl(methyl)amino]naphthalene-1-sulfonic acid
Basic information
- CAS
5399-05-3- Standard SMILES
CC(=O)N(C)c1cccc2cccc(S(=O)(=O)O)c12- InChIKey
ZBNKZAVVVRJOOR-UHFFFAOYSA-N- Molecular formula
- C13H13NO4S
- Average molar mass
- 279.31 g/mol
- Monoisotopic mass
- 279.05652907
Names & identifiers
- Preferred name
- 8-[Acetyl(methyl)amino]naphthalene-1-sulfonic acid
- IUPAC
- 8-[acetyl(methyl)amino]naphthalene-1-sulfonic acid
Names & synonyms
8-[acetyl(methyl)amino]naphthalene-1-sulfonic acid5399-05-3NSC3741DTXSID00277730NSC-37418-(N-Methylacetamido)-1-naphthalenesulfonic acid8-(N-Methylacetamido)naphthalene-1-sulfonic acid
Database identifiers
- CAS
5399-05-3- PubChem CID
- 220684
- DTXSID
DTXSID00277730
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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