Basic information
- CAS
23966-69-0- Standard SMILES
CCCCOc1c(OC)cccc1C(=O)OCCN(C)C.CI- InChIKey
AOQRGHOMWDKWEI-UHFFFAOYSA-N- Molecular formula
- C17H28INO4
- Average molar mass
- 437.3 g/mol
- Monoisotopic mass
- 437.10631
Names & identifiers
- Preferred name
- Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide
- IUPAC
- 2-(dimethylamino)ethyl 2-butoxy-3-methoxybenzoate;iodomethane
Names & synonyms
23966-69-0BENZOIC ACID, 2-BUTOXY-3-METHOXY-, 2-(DIMETHYLAMINO)ETHYL ESTER, METHYLIODIDE2-Butoxy-3-methoxybenzoic acid methyliodide, 2-(dimethylamino)ethyl esterDTXSID50178687RefChem:326833DTXCID101011782-(Dimethylamino)ethyl 2-butoxy-3-methoxybenzoate--iodomethane (1/1)
Database identifiers
- CAS
23966-69-0- PubChem CID
- 32173
- DTXSID
DTXSID50178687
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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