Basic information
- CAS
90221-27-5- Standard SMILES
CCNNC(=O)c1cc(C)on1- InChIKey
XNYIWLIOACSUSS-UHFFFAOYSA-N- Molecular formula
- C7H11N3O2
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.0851266
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-ethylhydrazide
- IUPAC
- N'-ethyl-5-methyl-1,2-oxazole-3-carbohydrazide
- English name
- 3-Isoxazolecarboxylicacid,5-methyl-,2-ethylhydrazide(6CI,7CI)
- Molecular formula
- C7H11N3O2
- Molecular weight
- 169.18
Names & synonyms
90221-27-53-ISOXAZOLECARBOXYLIC ACID, 5-METHYL-, 2-ETHYLHYDRAZIDEBRN 07775105-Methyl-3-isoxazolecarboxylic acid 2-ethylhydrazideDTXSID80238066RefChem:280278DTXCID00160557N'-ethyl-5-methyl-1,2-oxazole-3-carbohydrazideN'-ethyl-5-methylisoxazole-3-carbohydrazideAKOS0062759353-Isoxazolecarboxylicacid,5-methyl-,2-ethylhydrazide(6CI,7CI)
Database identifiers
- CAS
90221-27-5- PubChem CID
- 56048
- DTXSID
DTXSID80238066- Nikkaji
- J96.737H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 80 · 80-81 °C(Solv: methanol (67-56-1))
- Boiling point
- 279.3 · 279.3±32.0 °C(Predicted)
- Density
- 1.147 · 1.147±0.06 g/cm3(Predicted)
- pka
- 10.89 · 10.89±0.23(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…