Basic information
- CAS
93982-03-7- Standard SMILES
CC(=O)[O-].CC(C)[NH2+]CC(O)COc1cccc2ccccc12- InChIKey
AAQCIMVFPOGSJU-UHFFFAOYSA-N- Molecular formula
- C18H25NO4
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.17835828
Names & identifiers
- Preferred name
- (2-Hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium acetate
- IUPAC
- (2-hydroxy-3-naphthalen-1-yloxypropyl)-propan-2-ylazanium acetate
Names & synonyms
93982-03-7NS00091127
Database identifiers
- CAS
93982-03-7- PubChem CID
- 6366349
- EC Number
- 301-192-1
Properties
Computed structural properties
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…