4'-Methylacetanilide - CAS 103-89-9
Catalog: |
BB001259 |
Product Name: |
4'-Methylacetanilide |
CAS: |
103-89-9 |
Synonyms: |
N-(4-methylphenyl)acetamide |
IUPAC Name: | N-(4-methylphenyl)acetamide |
Description: | 4'-Methylacetanilide (CAS# 103-89-9) is a compound useful in organic synthesis. |
Molecular Weight: | 149.19 |
Molecular Formula: | C9H11NO |
Canonical SMILES: | CC1=CC=C(C=C1)NC(=O)C |
InChI: | InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11) |
InChI Key: | YICAMJWHIUMFDI-UHFFFAOYSA-N |
Boiling Point: | 307 ℃ |
Melting Point: | 148-151 ℃ |
Flash Point: | 335 °F |
Purity: | 95 % |
Density: | 1.212 g/cm3 |
Appearance: | Off white to brown flake |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00008677 |
LogP: | 2.02640 |
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 |
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PMID | Publication Date | Title | Journal |
23361947 | 20130301 | Identification of a small-molecule inhibitor of HIV-1 assembly that targets the phosphatidylinositol (4,5)-bisphosphate binding site of the HIV-1 matrix protein | ChemMedChem |
22765945 | 20121101 | H/D isotopic recognition mechanism in hydrogen-bonded crystals of 3-methylacetanilide and 4-methylacetanilide | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
22654610 | 20120101 | Ru (III) catalyzed oxidation of aliphatic ketones by N-bromosuccinimide in aqueous acetic acid: a kinetic study | TheScientificWorldJournal |
16018693 | 20050722 | Structural properties of benzimidazole cavitand and its selective recognition toward 4-methylbenzamide over 4-methylanilide | The Journal of organic chemistry |
16535348 | 19960701 | Reduction and Acetylation of 2,4-Dinitrotoluene by a Pseudomonas aeruginosa Strain | Applied and environmental microbiology |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 149.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 149.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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