4-({(e)-[4-(Dimethylamino)phenyl]methylidene}amino)-5-hydroxynaphthalene-2,7-disulfonic acid
Basic information
- CAS
6271-17-6- Standard SMILES
CN(C)c1ccc(C=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)cc1- InChIKey
PCVMQTPSGLVYNX-UHFFFAOYSA-N- Molecular formula
- C19H18N2O7S2
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.05554326
Names & identifiers
- Preferred name
- 4-({(e)-[4-(Dimethylamino)phenyl]methylidene}amino)-5-hydroxynaphthalene-2,7-disulfonic acid
- IUPAC
- 4-[[4-(dimethylamino)phenyl]methylideneamino]-5-hydroxynaphthalene-2,7-disulfonic acid
Names & synonyms
6271-17-64-({(e)-[4-(dimethylamino)phenyl]methylidene}amino)-5-hydroxynaphthalene-2,7-disulfonic acidNSC37199DTXSID80284427NSC-371994-[(E)-{[4-(Dimethylamino)phenyl]methylidene}amino]-5-hydroxynaphthalene-2,7-disulfonic acid
Database identifiers
- CAS
6271-17-6- PubChem CID
- 235609
- DTXSID
DTXSID80284427
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 824
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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