Basic information
- CAS
887579-33-1- Standard SMILES
CCOC(=N)CCCc1ccncc1- InChIKey
SBERRWIRCZHQSD-UHFFFAOYSA-N- Molecular formula
- C11H16N2O
- Average molar mass
- 192.26 g/mol
- Monoisotopic mass
- 192.12626314
Names & identifiers
- Preferred name
- 4-Pyridinebutanimidic acid ethyl ester
- IUPAC
- ethyl 4-pyridin-4-ylbutanimidate
- English name
- 4-Pyridin-4-yl-butyrimidic acid ethyl ester
- Molecular formula
- C11H16N2O
- Molecular weight
- 192.26
Names & synonyms
887579-33-14-Pyridinebutanimidic acid ethyl esterethyl 4-pyridin-4-ylbutanimidateEthyl 4-(pyridin-4-yl)butanimidate4-pyridin-4-ylbutyrimidic acid ethyl esterDTXSID10695380AKOS006293375DB-0781704-Pyridin-4-yl-butyrimidic acid ethyl ester
Database identifiers
- CAS
887579-33-1- PubChem CID
- 53404385
- DTXSID
DTXSID10695380
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
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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