2-(Methylamino)naphthalenesulphonic acid
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Basic information
- CAS
7089-63-6- Standard SMILES
CNc1ccc2ccccc2c1S(=O)(=O)O- InChIKey
JIACETSUYANHGJ-UHFFFAOYSA-N- Molecular formula
- C11H11NO3S
- Average molar mass
- 237.28 g/mol
- Monoisotopic mass
- 237.04596439
Names & identifiers
- Preferred name
- 2-(Methylamino)naphthalenesulphonic acid
- IUPAC
- 2-(methylamino)naphthalene-1-sulfonic acid
- English name
- 2-(methylamino)naphthalenesulphonic acid
- Molecular formula
- C11H11NO3S
- Molecular weight
- 237.27
Names & synonyms
2-(methylamino)naphthalene-1-sulfonic acid7089-63-62-(Methylamino)naphthalenesulphonic acidEINECS 230-393-6SCHEMBL5699450DTXSID20221114JIACETSUYANHGJ-UHFFFAOYSA-NNS00037125EN300-330480162-Methylamino-1-naphthalenesulfonic acid1-Naphthalenesulfonic acid, 2-(methylamino)-
Database identifiers
- CAS
7089-63-6- PubChem CID
- 81532
- DTXSID
DTXSID20221114- EC Number
- 230-393-6
- Nikkaji
- J28.951E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- pka
- -0.51 · -0.51±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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