Basic information
- CAS
14549-77-0- Standard SMILES
c1cc(CCN2CCCN(CCc3ccncc3)CC2)ccn1- InChIKey
MDJKIZPTSDZVNQ-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-(4-pyridyl)ethyl)-
- IUPAC
- 1,4-bis(2-pyridin-4-ylethyl)-1,4-diazepane
- English name
- Hexahydro-1,4-bis[2-(4-pyridyl)ethyl]-1H-1,4-diazepine
- Molecular formula
- C19H26N4
- Molecular weight
- 310.44
Names & synonyms
14549-77-01H-1,4-DIAZEPINE, HEXAHYDRO-, 1,4-BIS(2-(4-PYRIDYL)ETHYL)-BRN 0548481Bis-1,4-(beta-4-pyridylethyl)homopiperazine1,4-Bis(beta-4-pyridylethyl)-hexahydro-1H-1,4-diazepineDTXSID10163079RefChem:237142DTXCID10855701,4-bis(2-pyridin-4-ylethyl)-1,4-diazepane1,4-bis[2-(pyridin-4-yl)ethyl]-1,4-diazepaneHexahydro-1,4-bis[2-(4-pyridyl)ethyl]-1H-1,4-diazepine1H-1,4-Diazepine, hexahydro-1,4-bis[2-(4-pyridinyl)ethyl]-
Database identifiers
- CAS
14549-77-0- PubChem CID
- 26736
- DTXSID
DTXSID10163079- Nikkaji
- J40.864F
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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