Basic information
- CAS
477862-16-1- Standard SMILES
CCOC(=O)CC(=NNC(=O)CC#N)c1ccccc1- InChIKey
NZGWHWIZJLVVFM-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.11134135
Names & identifiers
- Preferred name
- Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-3-phenylpropanoate
- IUPAC
- ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-3-phenylpropanoate
- English name
- ETHYL 3-[(Z)-2-(2-CYANOACETYL)HYDRAZONO]-3-PHENYLPROPANOATE
- Molecular formula
- C14H15N3O3
- Molecular weight
- 273.29
Names & synonyms
ethyl (3Z)-3-[(2-cyanoacetamido)imino]-3-phenylpropanoateETHYL 3-[(Z)-2-(2-CYANOACETYL)HYDRAZONO]-3-PHENYLPROPANOATEEthyl (Z)-3-(2-(2-cyanoacetyl)hydrazono)-3-phenylpropanoateBenzenepropanoic acid, β-[2-(2-cyanoacetyl)hydrazinylidene]-, ethyl ester
Database identifiers
- CAS
477862-16-1- PubChem CID
- 4421281
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 3.94 · 3.94±0.10(Predicted)
Chemistry & industry
Suppliers1 total
河南梦泰医药科技有限公司17634413542 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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