Basic information
- CAS
78786-95-5- Standard SMILES
C(=NCCN=Cc1cccnc1)c1cccnc1- InChIKey
DJLXQNAIJXYMIG-UHFFFAOYSA-N- Molecular formula
- C14H14N4
- Average molar mass
- 238.29 g/mol
- Monoisotopic mass
- 238.12184646
Names & identifiers
- Preferred name
- 1,2-Ethanediamine, N,N'-bis(3-pyridinylmethylene)-
- IUPAC
- 1-pyridin-3-yl-N-[2-(pyridin-3-ylmethylideneamino)ethyl]methanimine
Names & synonyms
1,2-Ethanediamine, N,N'-bis(3-pyridinylmethylene)-78786-95-5SCHEMBL4253299SCHEMBL4253302DTXSID90469824(E,E)-N,N'-(Ethane-1,2-diyl)bis[1-(pyridin-3-yl)methanimine]
Database identifiers
- CAS
78786-95-5- PubChem CID
- 11637283
- DTXSID
DTXSID90469824- EC Number
- 616-655-6
- Nikkaji
- J1.917.580D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…