Basic information
- CAS
29278-96-4- Standard SMILES
CCN(CC)CCCCCCOC(=O)c1ccc(OC)cc1.Cl- InChIKey
ALDIOYOJLKPRRT-UHFFFAOYSA-N- Molecular formula
- C18H30ClNO3
- Average molar mass
- 343.9 g/mol
- Monoisotopic mass
- 343.1914215
Names & identifiers
- Preferred name
- p-Anisic acid, 6-(diethylamino)hexyl ester, hydrochloride
- IUPAC
- 6-(diethylamino)hexyl 4-methoxybenzoate;hydrochloride
Names & synonyms
6-(Diethylamino)hexyl p-anisate hydrochloridep-Anisic acid, 6-(diethylamino)hexyl ester, hydrochloride29278-96-4DTXSID00183529RefChem:367574DTXCID901060206-(Diethylamino)hexyl 4-methoxybenzoate--hydrogen chloride (1/1)
Database identifiers
- CAS
29278-96-4- PubChem CID
- 207181
- DTXSID
DTXSID00183529
Properties
Computed structural properties
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…