Basic information
- CAS
380638-39-1- Standard SMILES
CCN(CC)c1nc(N)c(C#N)c(CC#N)c1C#N- InChIKey
XRZHRSJWIHMKKY-UHFFFAOYSA-N- Molecular formula
- C13H14N6
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.12799447
Names & identifiers
- Preferred name
- 3,5-Pyridinedicarbonitrile, 2-amino-4-(cyanomethyl)-6-(diethylamino)-
- IUPAC
- 2-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile
- English name
- 2-amino-4-(cyanomethyl)-6-(diethylamino)-3,5-pyridinedicarbonitrile
- Molecular formula
- C13H14N6
- Molecular weight
- 254.29
Names & synonyms
380638-39-13,5-Pyridinedicarbonitrile, 2-amino-4-(cyanomethyl)-6-(diethylamino)-DTXSID80352610RefChem:272093DTXCID103036752-amino-4-(cyanomethyl)-6-(diethylamino)pyridine-3,5-dicarbonitrile2-amino-4-(cyanomethyl)-6-(diethylamino)-3,5-pyridinedicarbonitrileCC-PMLSC-02ARJF-073:001AE-641/15338297MLS000541680CHEMBL1871546HMS2211B04
Show more names
HMS3335L01AKOS002348689SMR000472230
Database identifiers
- CAS
380638-39-1- PubChem CID
- 730216
- DTXSID
DTXSID80352610- ChEMBL
CHEMBL1871546- Nikkaji
- J2.060.610J
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 531.9 · 531.9±50.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- -1.48 · -1.48±0.50(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…