Cyanoacetamide - CAS 107-91-5
Catalog: |
BB002145 |
Product Name: |
Cyanoacetamide |
CAS: |
107-91-5 |
Synonyms: |
2-cyanoacetamide |
IUPAC Name: | 2-cyanoacetamide |
Description: | Cyanoacetamide has been used in photometric and fluorimetric postcolumn labeling. |
Molecular Weight: | 84.08 |
Molecular Formula: | C3H4N2O |
Canonical SMILES: | C(C#N)C(=O)N |
InChI: | InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6) |
InChI Key: | DGJMPUGMZIKDRO-UHFFFAOYSA-N |
Boiling Point: | 351.2 °C at 760 mmHg |
Melting Point: | 118-122 °C |
Purity: | 95 % |
Density: | 1.163 g/cm3 |
Solubility: | 1 g dissolves in 6.5 ml cold water; 1.3 g at 0 °c in 100 ml of 95% alcohol; 3.1 g at 26 °c in 100 ml of 95% alcohol; 7.0 g at 44 °c in 100 ml of 95% alcohol; 14.0 g at 62 °c in 100 ml of 95% alcohol; 21.5 g at 71 °c in 100 ml of 95% alcohol |
Appearance: | White to light cream crystalline powder |
Storage: | Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Open Periodically |
MDL: | MFCD00008024 |
LogP: | 0.08568 |
GHS Hazard Statement: | H302 (76.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
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PMID | Publication Date | Title | Journal |
22897640 | 20120907 | Regiochemistry of the condensation of 2-aroyl-cyclohexanones and 2-cyanoacetamide: 13C-labeling studies and semiempirical MO calculations | The Journal of organic chemistry |
22824507 | 20120901 | Simultaneous determination of uronates found in polysaccharides from natural products by HPLC with fluorometric detection | Carbohydrate research |
22259516 | 20120101 | 2-(4-Chloro-3,3,7-trimethyl-2,3-dihydro-1H-indol-2-yl-idene)-2-cyano-acetamide | Acta crystallographica. Section E, Structure reports online |
22689397 | 20120101 | Determination of idebenone in plasma by HPLC with post-column fluorescence derivatization using 2-cyanoacetamide | Chemical & pharmaceutical bulletin |
22702807 | 20120101 | Isolation and characterization of Kluyvera georgiana strain with the potential for acrylamide biodegradation | Journal of environmental science and health. Part A, Toxic/hazardous substances & environmental engineering |
Complexity: | 98.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.032362755 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1 |
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