5-Amino-3-butylisoxazole-4-carbonitrile
Basic information
- CAS
35261-04-2- Standard SMILES
CCCCc1noc(N)c1C#N- InChIKey
CKOYMSLRTWDFAJ-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
Names & identifiers
- Preferred name
- 5-Amino-3-butylisoxazole-4-carbonitrile
- IUPAC
- 5-amino-3-butyl-1,2-oxazole-4-carbonitrile
- English name
- 4-Isoxazolecarbonitrile,5-amino-3-butyl-(9CI)
- Molecular formula
- C8H11N3O
- Molecular weight
- 165.19244
Names & synonyms
5-amino-3-butylisoxazole-4-carbonitrile35261-04-2DB-2725964-ISOXAZOLECARBONITRILE, 5-AMINO-3-BUTYL-4-Isoxazolecarbonitrile,5-amino-3-butyl-(9CI)
Database identifiers
- CAS
35261-04-2
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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