2-[3-(oxiran-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
Basic information
- CAS
93272-49-2- Standard SMILES
O=C1c2ccccc2C(=O)N1CCCC1CO1- InChIKey
DDJPULUYCYQIBS-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- 2-[3-(oxiran-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione
- IUPAC
- 2-[3-(oxiran-2-yl)propyl]isoindole-1,3-dione
Names & synonyms
2-[3-(oxiran-2-yl)propyl]-2,3-dihydro-1H-isoindole-1,3-dione2-(3-(oxiran-2-yl)propyl)-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:455000967-898-293272-49-22-(3-(oxiran-2-yl)-propyl)-isoindoline-1,3-dione2-[3-(oxiran-2-yl)propyl]isoindole-1,3-dione2-(3-(oxiran-2-yl)propyl)isoindoline-1,3-dioneNSC366113SCHEMBL571018DTXSID90320901NSC-366113
Show more names
DB-104149EN300-7070505A1-00766Z32472399202-[3-(Oxiran-2-yl)propyl]-1H-isoindole-1,3(2H)-dione
Database identifiers
- CAS
93272-49-2- PubChem CID
- 339435
- DTXSID
DTXSID90320901- EC Number
- 967-898-2
- Nikkaji
- J1.805.807C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 318
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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