Basic information
- CAS
3166-49-2- Standard SMILES
CCC(O)(CC)C(=O)NNc1ccc(Br)cc1- InChIKey
AKMFGXGYJSSDKL-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O2
- Average molar mass
- 301.18 g/mol
- Monoisotopic mass
- 300.04734
Names & identifiers
- Preferred name
- Butyric acid, 2-ethyl-2-hydroxy-, 2-(p-bromophenyl)hydrazide
- IUPAC
- N'-(4-bromophenyl)-2-ethyl-2-hydroxybutanehydrazide
- English name
- 2-Ethyl-2-hydroxybutyric acid 2-(p-bromophenyl)hydrazide
- Molecular formula
- C12H17BrN2O2
- Molecular weight
- 301.18
Names & synonyms
3166-49-2BUTYRIC ACID, 2-ETHYL-2-HYDROXY-, 2-(p-BROMOPHENYL)HYDRAZIDE2-Ethyl-2-hydroxybutyric acid 2-(p-bromophenyl)hydrazideDTXSID10185554RefChem:331271DTXCID50108045N'-(4-bromophenyl)-2-ethyl-2-hydroxybutanehydrazideButanoic acid, 2-ethyl-2-hydroxy-, 2-(4-bromophenyl)hydrazide
Database identifiers
- CAS
3166-49-2- PubChem CID
- 18489
- DTXSID
DTXSID10185554
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Boiling point
- 362.3 · 362.3±42.0 °C(Predicted)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- pka
- 11.76 · 11.76±0.50(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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