Basic information
- CAS
887579-19-3- Standard SMILES
CCOC(=N)CCCc1ccccn1- InChIKey
RRCOIDCKUWLUKS-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- 2-Pyridinebutanimidic acid ethyl ester
- IUPAC
- ethyl 4-pyridin-2-ylbutanimidate
- English name
- 4-PYRIDIN-2-YL-BUTYRIMIDIC ACID ETHYL ESTER
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
887579-19-32-Pyridinebutanimidic acid ethyl esterethyl 4-pyridin-2-ylbutanimidateEthyl 4-(pyridin-2-yl)butanimidate4-pyridin-2-ylbutyrimidic acid ethyl esterDTXSID40695378AKOS006293616DB-0781684-PYRIDIN-2-YL-BUTYRIMIDIC ACID ETHYL ESTER
Database identifiers
- CAS
887579-19-3- PubChem CID
- 53404382
- DTXSID
DTXSID40695378
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Boiling point
- 273.2 · 273.2±42.0 °C(Predicted)
- Density
- 1.02 · 1.02±0.1 g/cm3(Predicted)
- pka
- 8.02 · 8.02±0.70(Predicted)
Chemistry & industry
Suppliers2 total
德拜科技有限公司00852-2521 1836
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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