Basic information
- CAS
2522-81-8- Standard SMILES
CC(C)(C)C(=O)OCC(=O)c1ccccc1- InChIKey
OTIZTAXUFMCICV-UHFFFAOYSA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Overview
Pibecarb is a small molecule drug. Pibecarb has a monoisotopic molecular weight of 220.11 Da.
Names & identifiers
- Preferred name
- Pibecarb
- IUPAC
- phenacyl 2,2-dimethylpropanoate
- English name
- pibecarb
- Molecular formula
- C13H16O3
- Molecular weight
- 220.26
Names & synonyms
PibecarbPhenacylpivalatePibecarb [INN]PibecarbePibecarboPibecarbumPibecarbe [INN-French]Pibecarbum [INN-Latin]Pibecarbo [INN-Spanish]Benzoylcarbinol trimethylacetateBenzoylcarbinyl trimethylacetateUNII-MOA3SO592J
Show more names
Noscanolphenacyl 2,2-dimethylpropanoate(2-oxo-2-phenylethyl) 2,2-dimethylpropanoate(2-oxo-2-phenyl-ethyl) 2,2-dimethylpropanoate2,2-Dimethylpropanoic acid 2-oxo-2-phenylethyl ester2,2-dimethyl-propionic acid 2-oxo-2-pheny-ethyl ester2,2-dimethylpropionic acid (2-keto-2-phenyl-ethyl) ester
EINECS 219-749-1MOA3SO592JPivalic acid, ester with 2-hydroxyacetophenoneBRN 1873883Propanoic acid, 2,2-dimethyl-, 2-oxo-2-phenylethyl esterDTXSID001798814-08-00-00368 (Beilstein Handbook Reference)Pibecarbe (INN-French)
Database identifiers
- CAS
2522-81-8- PubChem CID
- 71114
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 62.5 °C · 62.5°C
- Boiling point
- 321.2 °C · 321.2°C (rough estimate)
- Density
- 1.1101 · 1.1101 (rough estimate)
- refractive index
- 1.509 · 1.5090 (estimate)
- form
- A solid
- FDA UNII
- 3 SO592J · MOA3SO592J
- Toxicity
- 50 ipr-rat: · LD50 ipr-rat: 2600 mg/kg GNRIDX 4,1,70
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
- Toxicity
- LD50 ipr-rat: 2600 mg/kg GNRIDX 4,1,70
Chemistry & industry
Applications
UsesPibecarb is a drug product or related compound.
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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