Basic information
- CAS
46794-07-4- Standard SMILES
Nc1ccc2c(c1)[nH]c(=O)c1cc(N)ccc12- InChIKey
MDTCBXNMVJATBJ-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021197
Names & identifiers
- Preferred name
- 3,8-Diamino-5H-phenanthridin-6-one
- IUPAC
- 3,8-diamino-5H-phenanthridin-6-one
Names & synonyms
3,8-Diamino-5H-phenanthridin-6-one46794-07-4NSC138768CHEMBL47840MLS0029204653,8-diaminophenanthridin-6(5h)-one3,8-diamino-6-phenanthridinol3,8-Diaminophenanthridin-6-olSCHEMBL10813479DTXSID90300763MDTCBXNMVJATBJ-UHFFFAOYSA-NBDBM50101109
Show more names
3,8-diamino-6-(5H)-phenanthridoneNSC-138768SMR001798056
Database identifiers
- CAS
46794-07-4- PubChem CID
- 283716
- DTXSID
DTXSID90300763- ChEMBL
CHEMBL47840- Nikkaji
- J1.513.928E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 320
Related reactions
1 records
Compound notes
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