Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester
Basic information
- CAS
68921-84-6- Standard SMILES
CCCCC(CC)COC(=O)c1ccccc1N(C)C- InChIKey
PINYIMREBAFXFI-UHFFFAOYSA-N- Molecular formula
- C17H27NO2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.2041791
Names & identifiers
- Preferred name
- Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester
- IUPAC
- 2-ethylhexyl 2-(dimethylamino)benzoate
- English name
- 2-(Dimethylamino)benzoic acid 2-ethylhexyl ester
- Molecular formula
- C17H27NO2
- Molecular weight
- 277.41
Names & synonyms
2-Ethylhexyl o-dimethylaminobenzoate68921-84-6Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl esterDTXSID80887573RefChem:118330DTXCID8010268632-ethylhexyl 2-(dimethylamino)benzoateSCHEMBL1758002PINYIMREBAFXFI-UHFFFAOYSA-N2-ethylhexyl-N,N-dimethylaminobenzoate2-(Dimethylamino)benzoic acid 2-ethylhexyl ester
Database identifiers
- CAS
68921-84-6- PubChem CID
- 111430
- DTXSID
DTXSID80887573- Nikkaji
- J441.241I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester (68921-84-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(dimethylamino)-, 2-ethylhexyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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