2-{[(4-methoxyphenyl)amino]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
Basic information
- CAS
313958-47-3- Standard SMILES
COc1ccc(NCN2C(=O)C3CCCCC3C2=O)cc1- InChIKey
XFUVKWSRHRQBNM-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- 2-{[(4-methoxyphenyl)amino]methyl}hexahydro-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[(4-methoxyanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
Names & synonyms
2-[(4-methoxyanilino)methyl]hexahydro-1H-isoindole-1,3(2H)-dione2-{[(4-methoxyphenyl)amino]methyl}hexahydro-1H-isoindole-1,3(2H)-dioneSTK3737312-[(4-methoxyanilino)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dioneAKOS001600285AKOS021984395CCG-329485ST50561818SR-01000400723SR-01000400723-12-{[(4-methoxyphenyl)amino]methyl}-4,5,6,7,3a,7a-hexahydroisoindole-1,3-dione313958-47-3
Database identifiers
- CAS
313958-47-3- PubChem CID
- 2850101
- EC Number
- 163-260-5
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
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…