Basic information
- CAS
59527-71-8- Standard SMILES
CC(C)(C)c1ccc2ccc3cccc4ccc1c2c34- InChIKey
MOQPEGHHZLRXFB-UHFFFAOYSA-N- Molecular formula
- C20H18
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.14085058
Names & identifiers
- Preferred name
- Pyrene, 1-(1,1-dimethylethyl)-
- IUPAC
- 1-tert-butylpyrene
- English name
- Pyrene, 1-(1,1-dimethylethyl)-
- Molecular formula
- C20H18
- Molecular weight
- 258.36
Names & synonyms
1-tert-butylpyrene59527-71-8Pyrene, 1-(1,1-dimethylethyl)-DTXSID50208216RefChem:376314DTXCID70130707t-butylpyrenetert-butylpyreneSCHEMBL571692SCHEMBL6884392SCHEMBL10700707MOQPEGHHZLRXFB-UHFFFAOYSA-N
Database identifiers
- CAS
59527-71-8- PubChem CID
- 187956
- DTXSID
DTXSID50208216- Nikkaji
- J3.778.478H
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 363
Physicochemical properties
- Melting point
- 97.5 · 97.5-99 °C
- Boiling point
- 407.3 · 407.3±12.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755 13266723223 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
湖南嘉航医药科技有限公司85567275 15200744171 · [email protected]
郑州研德生物科技有限公司13298105281 · [email protected]
Related reactions
2 records
Compound notes
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