2-(2-Phenyl-1-aziridinyl)-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
21865-87-2- Standard SMILES
O=C1c2ccccc2C(=O)N1N1CC1c1ccccc1- InChIKey
CXEFVBCKNMVPHB-UHFFFAOYSA-N- Molecular formula
- C16H12N2O2
- Average molar mass
- 264.28 g/mol
- Monoisotopic mass
- 264.08987763
Overview
See also: 2-Phenyl-1-phthalimidoaziridine (annotation moved to).
Names & identifiers
- Preferred name
- 2-(2-Phenyl-1-aziridinyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-(2-phenylaziridin-1-yl)isoindole-1,3-dione
- English name
- 2-Phenyl-1-phthalimidoaziridine
- Molecular formula
- C16H12N2O2
- Molecular weight
- 264.28
Names & synonyms
21865-87-22-(2-Phenyl-1-aziridinyl)-1H-isoindole-1,3(2H)-dioneNSC3432292-(2-phenylaziridin-1-yl)isoindoline-1,3-dioneNSC 3432291H-Isoindole-1,3(2H)-dione,2-(2-phenyl-1-aziridinyl)-AKOS024336203NSC-343229DS-0029552-Phenyl-1-phthalimidoaziridine1H-Isoindole-1,3(2H)-dione, 2-(2-phenyl-1-aziridinyl)-
Database identifiers
- CAS
21865-87-2- PubChem CID
- 335084
- Nikkaji
- J2.023.708B
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 40.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 443.1 · 443.1±48.0 °C(Predicted)
- Density
- 1.43 · 1.430±0.06 g/cm3(Predicted)
- pka
- -2.61 · -2.61±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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