3-Methylbenzamide - CAS 618-47-3

Name: 3-Methylbenzamide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031288
Product Name:	3-Methylbenzamide
CAS:	618-47-3
Synonyms:	3-methylbenzamide

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-methylbenzamide
Description:	3-Methylbenzamide (CAS# 618-47-3) is a useful research chemical.
Molecular Weight:	135.16
Molecular Formula:	C8H9NO
Canonical SMILES:	CC1=CC=CC(=C1)C(=O)N
InChI:	InChI=1S/C8H9NO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H2,9,10)
InChI Key:	WGRPQCFFBRDZFV-UHFFFAOYSA-N
Boiling Point:	253.6 °C at 760 mmHg
Density:	1.086 g/cm³
Appearance:	White powder and chunks
LogP:	1.79420

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
US-2021179612-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113263-A1	Crf receptor antagonists and methods of use	20191204
WO-2021113686-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021110860-A1	Reactive conjugates	20191203

PMID	Publication Date	Title	Journal
22662141	20120101	Chemical PARP inhibition enhances growth of Arabidopsis and reduces anthocyanin accumulation and the activation of stress protective mechanisms	PloS one
21580787	20100330	N-(2,6-Dimethyl-phen-yl)-3-methyl-benzamide	Acta crystallographica. Section E, Structure reports online
19897366	20100101	Synthesis and antiproliferative activity of pyrrolo[3,2-b]pyridine derivatives against melanoma	Bioorganic & medicinal chemistry letters
19064318	20090115	Antibacterial alkoxybenzamide inhibitors of the essential bacterial cell division protein FtsZ	Bioorganic & medicinal chemistry letters
11681848	20011101	Subchronic dermal application of N,N-diethyl m-toluamide (DEET) and permethrin to adult rats, alone or in combination, causes diffuse neuronal cell death and cytoskeletal abnormalities in the cerebral cortex and the hippocampus, and Purkinje neuron loss in the cerebellum	Experimental neurology

Complexity:	133
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:	43.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2