Basic information
- CAS
52898-32-5- Standard SMILES
C=CCCN1C(=O)c2ccccc2C1=O- InChIKey
ZDOLXCKKXHSEJG-UHFFFAOYSA-N- Molecular formula
- C12H11NO2
- Average molar mass
- 201.22 g/mol
- Monoisotopic mass
- 201.07897859
Names & identifiers
- Preferred name
- N-(3-Buten-1-yl)phthalimide
- IUPAC
- 2-but-3-enylisoindole-1,3-dione
- English name
- N-(3-BUTEN-1-YL)PHTHALIMIDE
- Molecular formula
- C12H11NO2
- Molecular weight
- 201.22
Names & synonyms
N-(3-Buten-1-yl)phthalimide52898-32-5DTXSID20320898RefChem:1091144DTXCID102720192-(But-3-en-1-yl)isoindoline-1,3-dione2-but-3-enylisoindole-1,3-dioneMFCD001754712-(But-3-en-1-yl);isoindoline-1,3-dione2-(but-3-enyl)isoindoline-1,3-dione2-but-3-enyl-1H-isoindole-1,3(2H)-dioneNSC366110
Show more names
AKOS 3452-(But-3-en-1-yl)4-Phthalimido-1-buteneN-(3-BUTENYL)PHTHALIMIDEN-(3-Buten-1-yl)phtalimideN-(3-Buten-1-yl)phthalimide>2-but-3-enylisoindole-1,3-dioneDimethyl 19-bromo terephthalate
Maybridge1_007214SCHEMBL369820SCHEMBL13158995SCHEMBL29419302HMS561P202-(but-3-en-1-yl)-2,3-dihydro-1H-isoindole-1,3-dioneZDOLXCKKXHSEJG-UHFFFAOYSA-N2-but-3-enylisoindoline-1,3-dione
Database identifiers
- CAS
52898-32-5- PubChem CID
- 339432
- DTXSID
DTXSID20320898- Nikkaji
- J371.476D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 52 °C · 52°C
- Boiling point
- 311 · 311.0±21.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -2.14 · -2.14±0.20(Predicted)
- color
- White to Almost white
- CAS DataBase Reference
- 52898 · 52898-32-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2925.19 · 2925.19.4200
Safety & regulation
Safety data
- hs_code
- 2925.19.4200
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesN-(3-BUTEN-1-YL)PHTHALIMIDE is an amino derivative that can be used as a pharmaceutical synthesis intermediate.
Upstream & downstream products
Downstream products
Suppliers56 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
24 records
Compound notes
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