Basic information
- CAS
101496-03-1- Standard SMILES
CCCCc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
BNBDCFNLLNBTIU-UHFFFAOYSA-N- Molecular formula
- C15H20N2O
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.15756327
Names & identifiers
- Preferred name
- Antipyrine, 4-butyl-
- IUPAC
- 4-butyl-1,5-dimethyl-2-phenylpyrazol-3-one
- English name
- 1-Phenyl-2,3-dimethyl-4-n-butyl-5-pyrazolon
- Molecular formula
- C15H20N2O
- Molecular weight
- 244.33
Names & synonyms
ANTIPYRINE, 4-BUTYL-4-Butylantipyrine101496-03-1BRN 02051421-Phenyl-2,3-dimethyl-4-n-butyl-5-pyrazolonDTXSID001439664-24-00-00147 (Beilstein Handbook Reference)RefChem:319912DTXCID50664574-butyl-1,5-dimethyl-2-phenylpyrazol-3-one4-butyl-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 4-butyl-1,2-dihydro-1,5-diMethyl-2-phenyl-
Database identifiers
- CAS
101496-03-1- PubChem CID
- 58475
- DTXSID
DTXSID00143966
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Melting point
- 44 · 44-45 °C
- Boiling point
- 193 · 193-195 °C(Press: 3 Torr)
- Density
- 1.056 · 1.056±0.06 g/cm3(Predicted)
- pka
- 1.52 · 1.52±0.65(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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