Basic information
- CAS
100800-71-3- Standard SMILES
CCOc1cc(N)ccc1C(=O)OCCN(C)C- InChIKey
SHRVSCQZDGGLLI-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Benzoic acid, 4-amino-2-ethoxy-, 2-(dimethylamino)ethyl ester
- IUPAC
- 2-(dimethylamino)ethyl 4-amino-2-ethoxybenzoate
Names & synonyms
100800-71-3BENZOIC ACID, 4-AMINO-2-ETHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTERDTXSID20143524RefChem:1079150DTXCID7066015WIN 36052-(dimethylamino)ethyl 4-amino-2-ethoxybenzoateBRN 33010634-Amino-2-ethoxy-benzoic acid 2-(dimethylamino)ethyl ester
Database identifiers
- CAS
100800-71-3- PubChem CID
- 58010
- DTXSID
DTXSID20143524- Nikkaji
- J73.839E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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