4-(Dimethylamino)-5-methoxynaphthalene-2,7-disulfonic acid

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Basic information

CAS: 144790-59-0
Standard SMILES: COc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N(C)C)c12
InChIKey: ADJYTVQMBCYWFQ-UHFFFAOYSA-N
Molecular formula: C13H15NO7S2
Average molar mass: 361.4 g/mol
Monoisotopic mass: 361.02899416

Names & identifiers

Preferred name: 4-(Dimethylamino)-5-methoxynaphthalene-2,7-disulfonic acid
IUPAC: 4-(dimethylamino)-5-methoxynaphthalene-2,7-disulfonic acid

Names & synonyms

4-(dimethylamino)-5-methoxynaphthalene-2,7-disulfonic acid144790-59-0CHEMBL144212DTXSID603323944-NNdiMe-5MeO-Naphth-2,7diSO3H4-(dimethylamino)-5-methoxy-naphthalene-2,7-disulfonic acid4-(N,N-Dimethylamino)-5-methoxy-2,7-naphthalenedisulfonic acid

Database identifiers

CAS: 144790-59-0
PubChem CID: 454582
DTXSID: DTXSID60332394
ChEMBL: CHEMBL144212
Nikkaji: J527.788D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 138 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 620

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Compound notes

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