Basic information
- CAS
5098-83-9- Standard SMILES
CCOC(=O)C(N)c1ccc(OC)c(C)c1OC- InChIKey
BUOBJMHEYUNHKV-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.13140809
Names & identifiers
- Preferred name
- Ethyl 2-amino-2-(2,4-dimethoxy-3-methylphenyl)acetate
- IUPAC
- ethyl 2-amino-2-(2,4-dimethoxy-3-methylphenyl)acetate
Names & synonyms
5098-83-9ethyl 2-amino-2-(2,4-dimethoxy-3-methylphenyl)acetateDTXSID60411653Ethyl amino(2,4-dimethoxy-3-methylphenyl)acetate
Database identifiers
- CAS
5098-83-9- PubChem CID
- 5228922
- DTXSID
DTXSID60411653
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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