Determine the necessary mass, volume, or concentration for preparing a solution.
This is a demo store. No orders will be fulfilled.
Basic Description
| Synonyms | 3842-20-4 | 2-(1,3-dioxoisoindolin-2-yl)acetonitrile | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetonitrile | N-(cyanomethyl)phthalimide | 2-(1,3-dioxoisoindol-2-yl)acetonitrile | MFCD00087362 | 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetonitrile | N-(CYANOMETHYL)-P |
|---|---|
| Storage Temp | Room temperature |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
-
Subclass
Isoindolines
- Level5 Isoindolones
- Level6 Phthalimides
- Level5 Isoindolones
-
Subclass
Isoindolines
-
Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Isoindolones |
| Direct Parent | Phthalimides |
| Alternative Parents | Isoindoles N-substituted carboxylic acid imides Benzenoids Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Carboxylic acid derivative - Carbonitrile - Azacycle - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides. |
| External Descriptors | Not available |
|
|
|
Names and Identifiers
| IUPAC Name | 2-(1,3-dioxoisoindol-2-yl)acetonitrile |
|---|---|
| INCHI | InChI=1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2 |
| InChIKey | KJTIDLYAIIARFO-UHFFFAOYSA-N |
| Smiles | C1=CC=C2C(=C1)C(=O)N(C2=O)CC#N |
| Isomeric SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CC#N |
| Molecular Weight | 186.172 |
| Reaxy-Rn | 154176 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=154176&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 186.170 g/mol |
|---|---|
| XLogP3 | 1.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 186.043 Da |
| Monoisotopic Mass | 186.043 Da |
| Topological Polar Surface Area | 61.200 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 304.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
Remind me later