Basic information
- CAS
15936-45-5- Standard SMILES
CC(C)=CCN1C(=O)c2ccccc2C1=O- InChIKey
NPPJFTLLMRKUHM-UHFFFAOYSA-N- Molecular formula
- C13H13NO2
- Average molar mass
- 215.25 g/mol
- Monoisotopic mass
- 215.09462866
Names & identifiers
- Preferred name
- Phthalimide, N-(3-methyl-2-butenyl)-
- IUPAC
- 2-(3-methylbut-2-enyl)isoindole-1,3-dione
- English name
- N-(3-Methyl-2-butenyl)phthalimide
- Molecular formula
- C13H13NO2
- Molecular weight
- 215.25
Names & synonyms
15936-45-5N-(3-Methyl-2-butenyl)phthalimidePhthalimide, N-(3-methyl-2-butenyl)-NSC 84144BRN 01651081H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-butenyl)-DTXSID301666435-21-10-00284 (Beilstein Handbook Reference)N-(3-METHYL-2-BUTEN-1-YL)PHTHALIMIDEN-[3-Methyl-2-butenyl]phthalimideRefChem:863044DTXCID1089134
Show more names
1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-butenyl)-(9CI)633-917-52-(3-Methylbut-2-en-1-yl)isoindoline-1,3-dione2-(3-methylbut-2-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dione2-(3-methylbut-2-enyl)isoindole-1,3-dione1H-Isoindole-1,3(2H)-dione, 2-(3-methyl-2-buten-1-yl)-2-(3-methylbut-2-enyl)isoindoline-1,3-dioneNSC84144
Database identifiers
- CAS
15936-45-5- PubChem CID
- 96648
- DTXSID
DTXSID30166643- EC Number
- 633-917-5
- Nikkaji
- J50.522F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 97 · 97-99 °C
- Boiling point
- 327.9 · 327.9±21.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- -2.12 · -2.12±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海景颜化工科技有限公司13817811078 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
郑州康善生物科技有限公司+86-0371-55023472 13663848272 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
6 records
Compound notes
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