Basic information
- Standard SMILES
COC(=O)CCNCCC1COc2ccccc2C1.Cl- InChIKey
LWGMKEIQOBCMBP-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO3
- Average molar mass
- 299.79 g/mol
- Monoisotopic mass
- 299.1288213
Names & identifiers
- Preferred name
- N-[2-(chroman-3-yl)ethyl]-N-(2-methoxycarbonylethyl)-amine hydrochloride
- IUPAC
- methyl 3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoate;hydrochloride
Names & synonyms
SCHEMBL9239657LWGMKEIQOBCMBP-UHFFFAOYSA-NN-[2-(chroman-3-yl)ethyl]-N-(2-methoxycarbonylethyl)-amine hydrochloride3-{N-[2-(chroman-3-yl)ethyl]amino}propionic acid methyl ester hydrochloride
Database identifiers
- PubChem CID
- 14838449
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 283
Related reactions
10 records
Compound notes
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