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Basic Description
| Synonyms | FT-0686393 | FT-0636177 | MFCD00041523 | A835111 | EN300-76167 | AM20100595 | InChI=1/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H | 4-Pyridinepropanoic acid, .beta.-oxo-, ethyl ester | AKOS005207232 | 2-cyclopropylacetonitrile | 2-cyclopropylethanenitrile | Cyclopropyl |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Room temperature,Argon charged |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic nitrogen compounds
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Class
Organonitrogen compounds
- Subclass Organic cyanides
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Class
Organonitrogen compounds
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Superclass
Organic nitrogen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic nitrogen compounds |
| Class | Organonitrogen compounds |
| Subclass | Organic cyanides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitriles |
| Alternative Parents | Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitriles. These are compounds having the structure RC#N; thus C-substituted derivatives of hydrocyanic acid, HC#N. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488190962 |
|---|---|
| IUPAC Name | 2-cyclopropylacetonitrile |
| INCHI | InChI=1S/C5H7N/c6-4-3-5-1-2-5/h5H,1-3H2 |
| InChIKey | FAUQRRGKJKMEIW-UHFFFAOYSA-N |
| Smiles | C1CC1CC#N |
| Isomeric SMILES | C1CC1CC#N |
| Molecular Weight | 81.12 |
| Reaxy-Rn | 2036964 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036964&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23211387 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211340 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211397 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211389 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211414 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211417 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211415 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
| D23211388 |
Certificate of Analysis | Mar 22, 2023 | C339744 |
Chemical and Physical Properties
| Solubility | Miscible with water, methylene chloride and alcohols. |
|---|---|
| Refractive Index | n20/D 1.4235 (lit.) |
| Boil Point(°C) | 142-144° C (lit.) |
| Molecular Weight | 81.120 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 1 |
| Exact Mass | 81.0578 Da |
| Monoisotopic Mass | 81.0578 Da |
| Topological Polar Surface Area | 23.800 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 83.400 |
| 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
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