Benzamide - CAS 55-21-0
Catalog: |
BB028946 |
Product Name: |
Benzamide |
CAS: |
55-21-0 |
Synonyms: |
Benzenecarboxamide; Benzoic acid amide; Benzoylamine; NSC 3114; Phenylamide; Phenylcarboxamide |
Related CAS: | 27208-38-4 (Deleted CAS)
|
IUPAC Name: | benzamide |
Description: | Benzamide is a derivative of benzoic acid, it is a natural alkaloid found in the herbs of Berberis pruinosa in nature. Benzamide is slightly soluble in water, and soluble in many organic solvents. |
Molecular Weight: | 121.14 |
Molecular Formula: | C7H7NO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)N |
InChI: | InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9) |
InChI Key: | KXDAEFPNCMNJSK-UHFFFAOYSA-N |
Boiling Point: | 288°C |
Melting Point: | 130°C |
Purity: | ≥95% |
Density: | 1.341 g/cm3 |
Solubility: | Soluble in DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at -20°C |
Decomposition: | When heated to decomp it emits toxic fumes of /nitrogen oxides |
MDL: | MFCD00007968 |
LogP: | 1.48580 |
Quality Standard: | Enterprise Standard |
Vapor Pressure: | 0.000939 [mmHg] |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P264, P270, P281, P301+P312, P308+P313, P330, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-10962529-B1 | Fluorescent probe based biosensor and assay for the detection of SARS-CoV-2 | 20201201 |
US-10980756-B1 | Methods of treatment | 20200316 |
EP-3650494-A2 | Matte film comprising heterophasic propylene copolymer composition | 20200214 |
EP-3650495-A2 | Film comprising heterophasic propylene copolymer composition | 20200214 |
US-10836869-B1 | Polymer excipients for drug delivery applications | 20200110 |
PMID | Publication Date | Title | Journal |
32446185 | 20200801 | Assessing the toxicity of the benzamide fungicide zoxamide in zebrafish (Danio rerio): Towards an adverse outcome pathway for beta-tubulin inhibitors | Environmental toxicology and pharmacology |
31594792 | 20200201 | A Novel G Protein-Biased Agonist at the δ Opioid Receptor with Analgesic Efficacy in Models of Chronic Pain | The Journal of pharmacology and experimental therapeutics |
30351001 | 20181108 | Discovery of a Potent Grp94 Selective Inhibitor with Anti-Inflammatory Efficacy in a Mouse Model of Ulcerative Colitis | Journal of medicinal chemistry |
29935282 | 20180915 | A novel benzamide derivative protects ligature-induced alveolar bone erosion by inhibiting NFATc1-mediated osteoclastogenesis | Toxicology and applied pharmacology |
30034611 | 20180712 | Identification of N-Benzyl 3,5-Dinitrobenzamides Derived from PBTZ169 as Antitubercular Agents | ACS medicinal chemistry letters |
Complexity: | 106 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 121.052763847 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 121.052763847 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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