2-Amino-4-ethyl-6-methylpyridine-3-carbonitrile
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Basic information
- CAS
93953-34-5- Standard SMILES
CCc1cc(C)nc(N)c1C#N- InChIKey
OYKPYWYBGLWWAC-UHFFFAOYSA-N- Molecular formula
- C9H11N3
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.09529736
Names & identifiers
- Preferred name
- 2-Amino-4-ethyl-6-methylpyridine-3-carbonitrile
- IUPAC
- 2-amino-4-ethyl-6-methylpyridine-3-carbonitrile
- English name
- 3-Pyridinecarbonitrile, 2-amino-4-ethyl-6-methyl-
- Molecular formula
- C9H11N3
- Molecular weight
- 161.2
Names & synonyms
2-AMINO-4-ETHYL-6-METHYLPYRIDINE-3-CARBONITRILE93953-34-5SCHEMBL6251961DB-0797342-amino-4-ethyl-6-methyl-3-Pyridinecarbonitrile3-Pyridinecarbonitrile, 2-amino-4-ethyl-6-methyl-
Database identifiers
- CAS
93953-34-5- PubChem CID
- 13330909
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Melting point
- 233 · 233-235 °C(Solv: tetrahydrofuran (109-99-9))
- Boiling point
- 312.4 · 312.4±42.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 3.75 · 3.75±0.50(Predicted)
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Compound notes
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