Basic information
- CAS
4958-78-5- Standard SMILES
CCN(CC)Cc1cccc(C(=O)OC)c1- InChIKey
SBJZGERXYGXOPQ-UHFFFAOYSA-N- Molecular formula
- C13H19NO2
- Average molar mass
- 221.29 g/mol
- Monoisotopic mass
- 221.14157885
Names & identifiers
- Preferred name
- Agn-PC-0jqt2O
- IUPAC
- methyl 3-(diethylaminomethyl)benzoate
Names & synonyms
4958-78-5AGN-PC-0JQT2OSCHEMBL10106423DTXSID60328313Methyl 3-[(diethylamino)methyl]benzoate
Database identifiers
- CAS
4958-78-5- PubChem CID
- 409202
- DTXSID
DTXSID60328313
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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