3,6-Diamino-2,7,10-trimethylacridinium
Basic information
- CAS
40451-58-9- Standard SMILES
Cc1cc2cc3cc(C)c(N)cc3[n+](C)c2cc1N- InChIKey
GXAYNFZRVSVARV-UHFFFAOYSA-O- Molecular formula
- C16H18N3+
- Average molar mass
- 252.33 g/mol
- Monoisotopic mass
- 252.15007259
Names & identifiers
- Preferred name
- 3,6-Diamino-2,7,10-trimethylacridinium
- IUPAC
- 2,7,10-trimethylacridin-10-ium-3,6-diamine
Names & synonyms
NCIOpen2_0040093,6-diamino-2,7,10-trimethylacridiniumSCHEMBL31084983DTXSID609608383,6-Diamino-2,7,10-trimethylacridin-10-ium
Database identifiers
- CAS
40451-58-9- PubChem CID
- 38476
- DTXSID
DTXSID60960838- Nikkaji
- J2.992.073G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 1
- Complexity
- 302
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Compound notes
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