Basic information
- CAS
77969-76-7- Standard SMILES
Nc1ccc2cc3ccc(=[NH2+])cc-3oc2c1- InChIKey
DJXIADRXORLNJX-UHFFFAOYSA-O- Molecular formula
- C13H11N2O+
- Average molar mass
- 211.24 g/mol
- Monoisotopic mass
- 211.08713798
Names & identifiers
- Preferred name
- 3,6-Diaminoxanthylium
- IUPAC
- (6-aminoxanthen-3-ylidene)azanium
Names & synonyms
77969-76-73,6-Diaminoxanthylium6-amino-3h-xanthen-3-iminiumXanthylium, 3,6-diamino-BRN 1380043DTXSID10999214
Database identifiers
- CAS
77969-76-7- PubChem CID
- 74994
- DTXSID
DTXSID10999214- Nikkaji
- J1.406.624A、J107.265J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 1
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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