Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
Basic information
- CAS
14476-67-6- Standard SMILES
CCOC(=O)c1c(C)oc(N)c1C#N- InChIKey
VMLFLMJTRHHRBL-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- Ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
- IUPAC
- ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate
- English name
- Ethyl 5-amino-4-cyano-2-methyl-3-furoate
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
ethyl 5-amino-4-cyano-2-methylfuran-3-carboxylate14476-67-6DTXSID10351196RefChem:344264DTXCID50302263ethyl 5-amino-4-cyano-2-methyl-3-furoateMFCD001595073-Furancarboxylic acid, 5-amino-4-cyano-2-methyl-, ethyl esterIFLab1_000861SCHEMBL21002895HMS1414H03STK409603
Show more names
ETHYL 5-AMINO-4-CYANO-2-METHYL-4-FURANCARBOXYLATE5-AMINO-4-CYANO-2-METHYL-FURAN-3-CARBOXYLIC ACID ETHYL ESTER
AKOS000272982CCG-125210LS-12015F0283-0060FT-07379853-Furancarboxylic acid,5-amino-4-cyano-2-methyl-, ethyl esterALBB-032409SBB015811
Database identifiers
- CAS
14476-67-6- PubChem CID
- 693184
- DTXSID
DTXSID10351196- EC Number
- 192-284-9
- Nikkaji
- J2.391.537E
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Boiling point
- 385 · 385.0±42.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -1.99 · -1.99±0.10(Predicted)
- Appearance
- Off-white to light brown Solid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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