Basic information
- CAS
64046-86-2- Standard SMILES
Nc1ccc2cc3cc(S(=O)(=O)O)ccc3nc2c1- InChIKey
VFLMIPREASACDX-UHFFFAOYSA-N- Molecular formula
- C13H10N2O3S
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.04121336
Names & identifiers
- Preferred name
- 7-Acridinesulfonic acid, 3-amino-
- IUPAC
- 6-aminoacridine-2-sulfonic acid
- English name
- 6-Amino-2-acridinesulfonic acid
- Molecular formula
- C13H10N2O3S
- Molecular weight
- 274.3
Names & synonyms
64046-86-27-ACRIDINESULFONIC ACID, 3-AMINO-6-aminoacridine-2-sulfonic acidBRN 02508322-Aminoacridine-7-sulphonic acid (European)6-Amino-2-acridinesulfonic acidacridine, 3-amino-7-sulpho-DTXSID20214107DB-2964632-Acridinesulfonic acid, 6-amino-
Database identifiers
- CAS
64046-86-2- PubChem CID
- 46671
- DTXSID
DTXSID20214107- Nikkaji
- J66.938E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Density
- 1.559 · 1.559±0.06 g/cm3(Predicted)
- pka
- -0.72 · -0.72±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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