Basic information
- Standard SMILES
COC(=O)c1ccc2occ(CCN)c2c1.Cl- InChIKey
AZLBJBMXRWBLEP-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO3
- Average molar mass
- 255.7 g/mol
- Monoisotopic mass
- 255.066221
Names & identifiers
- Preferred name
- Methyl 3-(2-aminoethyl)-1-benzofuran-5-carboxylate hydrochloride
- IUPAC
- methyl 3-(2-aminoethyl)-1-benzofuran-5-carboxylate;hydrochloride
Names & synonyms
SCHEMBL5346052AZLBJBMXRWBLEP-UHFFFAOYSA-NMethyl 3-(2-aminoethyl)-1-benzofuran-5-carboxylate hydrochloride
Database identifiers
- PubChem CID
- 18175082
Properties
Computed structural properties
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
4 records
Compound notes
Loading…