4-Amino-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindole-1,3-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
1016768-60-7- Standard SMILES
COCCN1C(=O)c2cccc(N)c2C1=O- InChIKey
DFZGRCTUFYZVAN-UHFFFAOYSA-N- Molecular formula
- C11H12N2O3
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.08479225
Names & identifiers
- Preferred name
- 4-Amino-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindole-1,3-dione
- IUPAC
- 4-amino-2-(2-methoxyethyl)isoindole-1,3-dione
- English name
- 4-amino-2-(2-methoxyethyl)-2,3-dihydro-1H-isoindole-1,3-dione
- Molecular formula
- C11H12N2O3
- Molecular weight
- 220.22
Names & synonyms
4-Amino-2-(2-methoxyethyl)isoindoline-1,3-dione4-AMINO-2-(2-METHOXYETHYL)-2,3-DIHYDRO-1H-ISOINDOLE-1,3-DIONEAKOS0001535521016768-60-74-amino-2-(2-methoxyethyl)isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 4-amino-2-(2-methoxyethyl)-
Database identifiers
- CAS
1016768-60-7- PubChem CID
- 20114892
- EC Number
- 109-825-1
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Boiling point
- 389.8 · 389.8±27.0 °C(Predicted)
- Density
- 1.332 · 1.332±0.06 g/cm3(Predicted)
- pka
- -0.67 · -0.67±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…