4-[[4-Chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-2,7-naphthalenedisulfonic acid
Basic information
- CAS
30560-94-2- Standard SMILES
CN(c1ccccc1)c1nc(Cl)nc(Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)n1- InChIKey
FWCSMLSQUYFWEX-UHFFFAOYSA-N- Molecular formula
- C20H16ClN5O7S2
- Average molar mass
- 538 g/mol
- Monoisotopic mass
- 537.0179679
Names & identifiers
- Preferred name
- 4-[[4-Chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-2,7-naphthalenedisulfonic acid
- IUPAC
- 4-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
DTXSID00111298930560-94-24-[[4-Chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-5-hydroxy-2,7-naphthalenedisulfonic acid4-({4-Chloro-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl}amino)-5-hydroxynaphthalene-2,7-disulfonic acid
Database identifiers
- CAS
30560-94-2- PubChem CID
- 13628561
- DTXSID
DTXSID001112989
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 940
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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