Mls003115492
Basic information
- CAS
1539-51-1- Standard SMILES
CC1=C(C#N)C(C)(C)C(C#N)=C(C)N1- InChIKey
AMLKEWGNDHITHK-UHFFFAOYSA-N- Molecular formula
- C11H13N3
- Average molar mass
- 187.24 g/mol
- Monoisotopic mass
- 187.11094743
Overview
2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile is a dihydropyridine.
Names & identifiers
- Preferred name
- Mls003115492
- IUPAC
- 2,4,4,6-tetramethyl-1H-pyridine-3,5-dicarbonitrile
- English name
- 3,5-Pyridinedicarbonitrile,1,4-dihydro-2,4,4,6-tetramethyl-
- Molecular formula
- C11H13N3
- Molecular weight
- 187.24
Names & synonyms
1539-51-1MLS003115492DTXSID00314013RefChem:357306DTXCID002651372,4,4,6-Tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile2,4,4,6-tetramethyl-1H-pyridine-3,5-dicarbonitrile2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrileNSC279834Cambridge id 5141040CHEMBL1872051SCHEMBL11792839
Show more names
3,5-Pyridinedicarbonitrile,1,4-dihydro-2,4,4,6-tetramethyl-
AMLKEWGNDHITHK-UHFFFAOYSA-NCHEBI:173315HMS1578F03CCG-2192AKOS003617444NSC-279834SMR0018310682,4,4,6-tetra-methyl-3,5-dicyano-1,4-dihydropyridine
Database identifiers
- CAS
1539-51-1- PubChem CID
- 322404
- DTXSID
DTXSID00314013- ChEMBL
CHEMBL1872051- ChEBI
CHEBI:173315- EC Number
- 105-106-1
- Nikkaji
- J599.858A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
LogP2.47
Physicochemical properties
- Melting point
- 235.5 · 235.5-239 °C
- Boiling point
- 311.1 · 311.1±42.0 °C(Predicted)
- Density
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- pka
- 1.53 · 1.53±0.70(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 2,4,4,6-Tetramethyl-1,4-dihydro-3,5-pyridinedicarbonitrile is a dihydropyridine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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