5-Amino-3-ethyl-4-isoxazolecarbonitrile
Basic information
- CAS
35261-00-8- Standard SMILES
CCc1noc(N)c1C#N- InChIKey
HUMZBZPHPPOKLT-UHFFFAOYSA-N- Molecular formula
- C6H7N3O
- Average molar mass
- 137.14 g/mol
- Monoisotopic mass
- 137.05891186
Names & identifiers
- Preferred name
- 5-Amino-3-ethyl-4-isoxazolecarbonitrile
- IUPAC
- 5-amino-3-ethyl-1,2-oxazole-4-carbonitrile
Names & synonyms
5-Amino-3-ethyl-4-isoxazolecarbonitrile35261-00-8CP19T2C4DZNSC 86939NSC-86939UNII-CP19T2C4DZDTXSID801887545-AMINO-4-CYANO-3-ETHYLISOXAZOLE4-ISOXAZOLECARBONITRILE, 5-AMINO-3-ETHYL-RefChem:101949DTXCID401112455-amino-3-ethyl-1,2-oxazole-4-carbonitrile
Show more names
5-Amino-3-ethylisoxazole-4-carbonitrileNSC869395-amino-3-ethyl-isoxazole-4-carbonitrileNCIOpen2_001075SCHEMBL11567937MFCD00040258AKOS006341474AT19821
Database identifiers
- CAS
35261-00-8- PubChem CID
- 258181
- DTXSID
DTXSID80188754- UNII
- CP19T2C4DZ
- EC Number
- 882-029-6
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 162
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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