Ethyl 3-iminobutanoate
Basic information
- CAS
29214-65-1- Standard SMILES
CCOC(=O)CC(C)=N- InChIKey
MBWLFLMQDIFCEN-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- Ethyl 3-iminobutanoate
- IUPAC
- ethyl 3-iminobutanoate
Names & synonyms
ethyl 3-iminobutanoate29214-65-1DTXSID40312997RefChem:343455DTXCID60264121NSC265447ethyl3-iminobutanoateSCHEMBL4539897SCHEMBL10814691MBWLFLMQDIFCEN-UHFFFAOYSA-NNSC-265447
Database identifiers
- CAS
29214-65-1- PubChem CID
- 319843
- DTXSID
DTXSID40312997- Nikkaji
- J1.687.346B
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
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Related reactions
1 records
Compound notes
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