2,3-Diamino-7-chlorophenazine
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Basic information
- CAS
4559-64-2- Standard SMILES
Nc1cc2nc3ccc(Cl)cc3nc2cc1N- InChIKey
SAKWMMOWGNCYFV-UHFFFAOYSA-N- Molecular formula
- C12H9ClN4
- Average molar mass
- 244.68 g/mol
- Monoisotopic mass
- 244.051574
Names & identifiers
- Preferred name
- 2,3-Diamino-7-chlorophenazine
- IUPAC
- 7-chlorophenazine-2,3-diamine
- English name
- 2,3-DIAMINO-7-CHLOROPHENAZINE
- Molecular formula
- C12H9ClN4
- Molecular weight
- 244.68
Names & synonyms
2,3-Diamino-7-chlorophenazine4559-64-27-Chloro-2,3-phenazinediamine2,3-Phenazinediamine, 7-chloro-63LLB4X8LK7-chlorophenazine-2,3-diamineCCRIS 3573BRN 0384462UNII-63LLB4X8LK0-25-00-00393 (Beilstein Handbook Reference)SCHEMBL14166725DTXSID40196557
Show more names
DIAMINO-7-CHLOROPHENAZINE
DIAMINO-7-CHLOROPHENAZINE, 2,3-
Database identifiers
- CAS
4559-64-2- PubChem CID
- 145755
- DTXSID
DTXSID40196557- UNII
- 63LLB4X8LK
- Nikkaji
- J2.596.861A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Boiling point
- 524.9 · 524.9±30.0 °C(Predicted)
- Density
- 1.523 · 1.523±0.06 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.30(Predicted)
- FDA UNII
- 63 LLB4X8LK · 63LLB4X8LK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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