Basic information
- CAS
2141-99-3- Standard SMILES
CC(C)(C)N1C(=O)c2ccccc2C1=O- InChIKey
AMEZJARRAUZZHY-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- N-tert-Butylphthalimide
- IUPAC
- 2-tert-butylisoindole-1,3-dione
- English name
- 1H-Isoindole-1,3(2H)-dione,2-(1,1-dimethylethyl)-
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
N-tert-Butylphthalimide2141-99-32-(tert-butyl)isoindoline-1,3-dione2-tert-Butyl-1H-isoindole-1,3(2H)-dioneNSC 551282-tert-butyl-isoindole-1,3-dioneNSC55128N-t-butylphthalimideChemDiv3_000337SCHEMBL2156119SCHEMBL28110900SCHEMBL30472938
Show more names
1H-Isoindole-1,3(2H)-dione,2-(1,1-dimethylethyl)-2-methyl-4-[[[(4-nitrophenyl)methylamino]-oxomethyl]amino]benzenesulfonyl fluoride
DTXSID00288265HMS1473P072-tert-butyl-1,3-isoindolinedioneSMSSF-0047921MFCD00454396NSC-55128AKOS003625148IDI1_019655
Database identifiers
- CAS
2141-99-3- PubChem CID
- 244292
- DTXSID
DTXSID00288265- Nikkaji
- J561.532A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 59 · 59-60 °C
- Boiling point
- 294.7 · 294.7±9.0 °C(Predicted)
- Density
- 1.203 · 1.203±0.06 g/cm3(Predicted)
- pka
- -2.09 · -2.09±0.20(Predicted)
Chemistry & industry
Suppliers1 total
南京新瑞医药科技有限公司19850079587 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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