Basic information
- CAS
3589-45-5- Standard SMILES
N#CCCN1C(=O)c2ccccc2C1=O- InChIKey
LOOWMCWVRNEZLZ-UHFFFAOYSA-N- Molecular formula
- C11H8N2O2
- Average molar mass
- 200.19 g/mol
- Monoisotopic mass
- 200.0585775
Names & identifiers
- Preferred name
- 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile
- IUPAC
- 3-(1,3-dioxoisoindol-2-yl)propanenitrile
- English name
- N-(2-CYANOETHYL)-PHTHALIMIDE
- Molecular formula
- C11H8N2O2
- Molecular weight
- 200.19
Names & synonyms
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrileRefChem:489272668-948-33589-45-5N-(2-Cyanoethyl)phthalimide3-(1,3-dioxoisoindolin-2-yl)propanenitrile3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanenitrile3-(1,3-dioxoisoindol-2-yl)propanenitrileMFCD00090743N-(2-CYANOETHYL)-PHTHALIMIDE2H-Isoindole-2-propanenitrile, 1,3-dihydro-1,3-dioxo-2H-Isoindole-2-propanenitrile,1,3-dihydro-1,3-dioxo-
Show more names
CBI-BB ZERO/0054542-(2-CYANOETHYL)PHTHALIMIDEN-(1,3-dioxoisoindol-2-yl)propanenitrile3-(1,3-dioxo-2-isoindolinyl)propanenitrile3-(1,3-diketoisoindolin-2-yl)propionitrile
3-(1,3-dioxobenzo[c]azolin-2-yl)propanenitrileNSC5252463-(1,3-dioxoisoindolin-2-yl)-propionitrileSCHEMBL6993290SCHEMBL29459546DTXSID00326196HMS1631B20ALBB-017800
Database identifiers
- CAS
3589-45-5
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 318
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 390.4 · 390.4±25.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- -2.39 · -2.39±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers21 total
上海凛南医药科技有限公司15900633975;13262632028
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
Related reactions
1 records
Compound notes
Loading…