Dipivaloylisoproterenol
Basic information
- CAS
65114-85-4- Standard SMILES
CC(C)NCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1- InChIKey
CBSXCMCOPDQXAD-UHFFFAOYSA-N- Molecular formula
- C21H33NO5
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.23587315
Names & identifiers
- Preferred name
- Dipivaloylisoproterenol
- IUPAC
- [2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl] 2,2-dimethylpropanoate
- English name
- dipivaloylisoproterenol
- Molecular formula
- C21H33NO5
- Molecular weight
- 379.49
Names & synonyms
DipivaloylisoproterenolDipivalylisoproterenol65114-85-4Propanoic acid, 2,2-dimethyl-, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-phenylene esterRefChem:134757SCHEMBL11526980DTXSID009836624-{1-Hydroxy-2-[(propan-2-yl)amino]ethyl}-1,2-phenylene bis(2,2-dimethylpropanoate)Propanoic acid, 2,2-dimethyl-, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]-1,2-phenylene ester (9CI)
Database identifiers
- CAS
65114-85-4- PubChem CID
- 163076
- DTXSID
DTXSID00983662
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Boiling point
- 493.1 · 493.1±45.0 °C(Predicted)
- Density
- 1.073 · 1.073±0.06 g/cm3(Predicted)
- pka
- 13 · 13+-.0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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