Basic information
- CAS
78330-01-5- Standard SMILES
CCN(CC)CCOC(=O)c1cccc(C)c1O- InChIKey
LQZCUXMVYRJPOT-UHFFFAOYSA-N- Molecular formula
- C14H21NO3
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.15214353
Names & identifiers
- Preferred name
- Benzoic acid, 2-hydroxy-3-methyl-, 2-(diethylamino)ethyl ester
- IUPAC
- 2-(diethylamino)ethyl 2-hydroxy-3-methylbenzoate
Names & synonyms
2-(Diethylamino)ethyl 2-hydroxy-3-methylbenzoate78330-01-5BENZOIC ACID, 2-HYDROXY-3-METHYL-, 2-(DIETHYLAMINO)ETHYL ESTER2-Hydroxy-3-methylbenzoic acid 3-diethylamino ethyl esterbeta-(Diethylamino)ethyl 2-hydroxy-3-methylbenzoateSalicylic acid, 3-methyl-, 2-(diethylamino)ethyl esterDTXSID30229000RefChem:326885DTXCID10151491
Database identifiers
- CAS
78330-01-5- PubChem CID
- 48975
- DTXSID
DTXSID30229000- Nikkaji
- J83.420C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 253
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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