Basic information
- CAS
6327-95-3- Standard SMILES
COC(=O)CCc1ccc(NCCO)cc1- InChIKey
ONGZFGQRQQZCBM-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- Methyl 3-[4-(2-hydroxyethylamino)phenyl]propanoate
- IUPAC
- methyl 3-[4-(2-hydroxyethylamino)phenyl]propanoate
Names & synonyms
6327-95-3methyl 3-[4-(2-hydroxyethylamino)phenyl]propanoateNSC44429methyl 3-{4-[(2-hydroxyethyl)amino]phenyl}propanoateSCHEMBL7272597DTXSID80286244NSC-44429
Database identifiers
- CAS
6327-95-3- PubChem CID
- 239398
- DTXSID
DTXSID80286244
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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