N-Methylbenzamide - CAS 613-93-4
Catalog: |
BB031085 |
Product Name: |
N-Methylbenzamide |
CAS: |
613-93-4 |
Synonyms: |
N-methylbenzamide |
IUPAC Name: | N-methylbenzamide |
Description: | N-Methylbenzamide (CAS# 613-93-4) is a useful research chemical compound. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | CNC(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C8H9NO/c1-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10) |
InChI Key: | NCCHARWOCKOHIH-UHFFFAOYSA-N |
Boiling Point: | 167 °C / 11 mmHg (lit.), 307.5 °C at 760 mmHg |
Melting Point: | 76-78 °C (lit.) |
Purity: | 95 % |
Density: | 1.041 g/cm3 |
Solubility: | less than 1 mg/mL at 68 °F |
Appearance: | Off-white crystalline solid. |
MDL: | MFCD00011642 |
LogP: | 1.43710 |
Vapor Pressure: | 0.00052 [mmHg] |
GHS Hazard Statement: | H302 (100%): 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 |
WO-2021127397-A1 | Nitrogen heterocyclic compounds and methods of use | 20191219 |
WO-2021116709-A1 | COMPOUNDS AND THEIR USE FOR THE TREATMENT OF α1-ANTITRYPSIN DEFICIENCY | 20191213 |
WO-2021117846-A1 | Compound serving as pdgf receptor kinase inhibitor, and composition | 20191213 |
WO-2021117652-A1 | Organopolysiloxane compound and method for producing the same, and composition including said compound | 20191211 |
WO-2021105373-A1 | Catalyst composition for the polymerization of olefins | 20191129 |
PMID | Publication Date | Title | Journal |
22557923 | 20120401 | 3D-QSAR studies on CCR2B receptor antagonists: Insight into the structural requirements of (R)-3-aminopyrrolidine series of molecules based on CoMFA/CoMSIA models | Journal of pharmacy & bioallied sciences |
21589625 | 20101130 | A functionalized enol lactone containing a protected α-amino acid | Acta crystallographica. Section E, Structure reports online |
19912625 | 20091113 | DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening | BMC chemical biology |
19674894 | 20090915 | Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist | Bioorganic & medicinal chemistry letters |
19562146 | 20090707 | Study of the Beckmann rearrangement of acetophenone oxime over porous solids by means of solid state NMR spectroscopy | Physical chemistry chemical physics : PCCP |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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