1,2-Benzenediol, 4-[(1-piperazinylimino)methyl]-
Basic information
- CAS
791808-21-4- Standard SMILES
Oc1ccc(C=NN2CCNCC2)cc1O- InChIKey
KKUUTFIZQDTFBO-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
Names & identifiers
- Preferred name
- 1,2-Benzenediol, 4-[(1-piperazinylimino)methyl]-
- IUPAC
- 4-(piperazin-1-yliminomethyl)benzene-1,2-diol
- English name
- 1,2-Benzenediol, 4-[(1-piperazinylimino)methyl]- (9CI)
- Molecular formula
- C11H15N3O2
- Molecular weight
- 221.26
Names & synonyms
791808-21-4DB-2673151,2-BENZENEDIOL, 4-[(1-PIPERAZINYLIMINO)METHYL]-1,2-Benzenediol, 4-[(1-piperazinylimino)methyl]- (9CI)
Database identifiers
- CAS
791808-21-4
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 68.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 469.3 · 469.3±45.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- 8.73 · 8.73±0.35(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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