Basic information
- CAS
32051-67-5- Standard SMILES
CCCCC(C)(CC)C(=O)OCCCN(CC)CC- InChIKey
ZBXXNADTECFOSF-UHFFFAOYSA-N- Molecular formula
- C16H33NO2
- Average molar mass
- 271.44 g/mol
- Monoisotopic mass
- 271.2511293
Names & identifiers
- Preferred name
- 3-(Diethylamino)propyl 2-ethyl-2-methylhexanoate
- IUPAC
- 3-(diethylamino)propyl 2-ethyl-2-methylhexanoate
- English name
- 2-Ethyl-2-methylhexanoic acid 3-(diethylamino)propyl ester
- Molecular formula
- C16H33NO2
- Molecular weight
- 271.44
Names & synonyms
32051-67-53-(diethylamino)propyl 2-ethyl-2-methylhexanoate2-Ethyl-2-methylhexanoic acid 3-(diethylamino)propyl esterDTXSID20275379ZBXXNADTECFOSF-UHFFFAOYSA-NDB-260986Hexanoic acid, 2-ethyl-2-methyl-, 3-(diethylamino)propyl ester
Database identifiers
- CAS
32051-67-5- PubChem CID
- 36050
- DTXSID
DTXSID20275379- Nikkaji
- J49.415A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 335.6 · 335.6±25.0 °C(Predicted)
- Density
- 0.894 · 0.894±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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