Basic information
- CAS
7786-80-3- Standard SMILES
CCCCCCCCN1C(=O)C2C3C=CC(C3)C2C1=O- InChIKey
YLHCJWZWKGVBOS-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide
- IUPAC
- 4-octyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- English name
- 1,2,3,6-tetrahydro-N-octyl-3,6-methanophthalimide
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
1,2,3,6-Tetrahydro-N-octyl-3,6-methanophthalimideDTXSID30999059RefChem:410655DTXCID201426035232-103-37786-80-34-octyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dioneEINECS 232-103-3SCHEMBL10625208YLHCJWZWKGVBOS-UHFFFAOYSA-NCS-W012320NS00044221
Show more names
N-Octylbicyclo[2.2.1]hepta-5-ene-2,3-dicarbimide4-octyl-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione2-Octyl-4,7-methano-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione3a,4,7,7a-Tetrahydro-2-octyl-4,7-methano-1H-isoindole-1,3(2H)-dione4,7-Methano-1H-isoindole-1,3(2H)-dione,3a,4,7,7a-tetrahydro-2-octyl-
2-octyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Database identifiers
- CAS
7786-80-3- PubChem CID
- 94343
- DTXSID
DTXSID30999059- EC Number
- 232-103-3
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Boiling point
- 411.6 · 411.6±45.0 °C(Predicted)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- -7.19 · -7.19±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
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 3 consumer products that contain N-Octylbicycloheptene dicarboximide in the following categories is provided:
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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