Basic information
- CAS
52898-33-6- Standard SMILES
C=CCCCCN1C(=O)c2ccccc2C1=O- InChIKey
IORZJOJSTUVEQE-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
Names & identifiers
- Preferred name
- N-(Hex-5-enyl)phthalimide
- IUPAC
- 2-hex-5-enylisoindole-1,3-dione
Names & synonyms
52898-33-6RefChem:828477N-(Hex-5-enyl)phthalimide684-465-02-Hex-5-enyl-isoindole-1,3-dione2-(HEX-5-ENYL)ISOINDOLINE-1,3-DIONE2-hex-5-enylisoindole-1,3-dione2-(Hex-5-en-1-yl)isoindole-1,3-dioneN-(5-Hexenyl)phthalimide6-phthalimido-1-hexene2-(hex-5-en-1-yl)isoindoline-1,3-dioneSCHEMBL6505837
Show more names
IORZJOJSTUVEQE-UHFFFAOYSA-NMFCD022597822-(5-hexenyl)isoindoline-1,3-dioneDA-42193A1-04472
Database identifiers
- CAS
52898-33-6- PubChem CID
- 12422290
- EC Number
- 684-465-0
- Nikkaji
- J2.940.919F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 300
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
4 records
Compound notes
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