Basic information
- CAS
14549-76-9- Standard SMILES
c1ccc(CCN2CCCN(CCc3ccccn3)CC2)nc1- InChIKey
MRJAQCRGHRRVGK-UHFFFAOYSA-N- Molecular formula
- C19H26N4
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.21574685
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine, hexahydro-, 1,4-bis(2-(2-pyridyl)ethyl)-
- IUPAC
- 1,4-bis(2-pyridin-2-ylethyl)-1,4-diazepane
- English name
- Hexahydro-1,4-bis[2-(2-pyridyl)ethyl]-1H-1,4-diazepine
- Molecular formula
- C19H26N4
- Molecular weight
- 310.44
Names & synonyms
14549-76-91H-1,4-DIAZEPINE, HEXAHYDRO-, 1,4-BIS(2-(2-PYRIDYL)ETHYL)-BRN 0548520Bis-1,4-(beta-2-pyridylethyl)homopiperazine1,4-Bis(beta-2-pyridylethyl)-hexahydro-1H-1,4-diazepineDTXSID50163078RefChem:237141DTXCID20855691,4-bis(2-pyridin-2-ylethyl)-1,4-diazepane1,4-BIS[2-(PYRIDIN-2-YL)ETHYL]-1,4-DIAZEPANEHexahydro-1,4-bis[2-(2-pyridyl)ethyl]-1H-1,4-diazepine1H-1,4-Diazepine, hexahydro-1,4-bis[2-(2-pyridinyl)ethyl]-
Database identifiers
- CAS
14549-76-9- PubChem CID
- 26735
- DTXSID
DTXSID50163078- Nikkaji
- J40.863H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 440.2 · 440.2±45.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 8.77 · 8.77±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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