Basic information
- CAS
78329-86-9- Standard SMILES
CCCCOc1ccc(C(=O)OCCCN(C)C)cc1C- InChIKey
QPAHKFXMGSVTNA-UHFFFAOYSA-N- Molecular formula
- C17H27NO3
- Average molar mass
- 293.4 g/mol
- Monoisotopic mass
- 293.19909372
Names & identifiers
- Preferred name
- Benzoic acid, 4-butoxy-3-methyl-, 3-(dimethylamino)propyl ester
- IUPAC
- 3-(dimethylamino)propyl 4-butoxy-3-methylbenzoate
Names & synonyms
3-(Dimethylamino)propyl 4-butoxy-3-methylbenzoate78329-86-94-Butoxy-3-methylbenzoic acid 3-(dimethylamino)propyl estergamma-(Dimethylamino)propyl 3-methyl-4-butoxybenzoateBENZOIC ACID, 4-BUTOXY-3-METHYL-, 3-(DIMETHYLAMINO)PROPYL ESTERDTXSID40228988RefChem:327546DTXCID90151479
Database identifiers
- CAS
78329-86-9- PubChem CID
- 49029
- DTXSID
DTXSID40228988- Nikkaji
- J73.896D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…