Benzamide oxime - CAS 613-92-3

Name: Benzamide oxime
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031084
Product Name:	Benzamide oxime
CAS:	613-92-3
Synonyms:	N'-hydroxybenzenecarboximidamide

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Computed Properties

IUPAC Name:	N'-hydroxybenzenecarboximidamide
Description:	Benzamide oxime (CAS# 613-92-3) is used to prepare aryloxadiazoles as apoptosis inducers and anticancer agents. It is also used in the synthesis of aryloxadiazolyltropane analogs of cocaine.
Molecular Weight:	136.15
Molecular Formula:	C7H8N2O
Canonical SMILES:	C1=CC=C(C=C1)C(=NO)N
InChI:	InChI=1S/C7H8N2O/c8-7(9-10)6-4-2-1-3-5-6/h1-5,10H,(H2,8,9)
InChI Key:	MXOQNVMDKHLYCZ-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Purity:	95 %
Density:	1.18 g/cm³
MDL:	MFCD00031485
LogP:	1.48140

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Related Functional Groups

Nitrogen Compounds

[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]C13H9BrN2O
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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GHS Hazard Statement:	H301 (85.11%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2020227101-A1	Kcnt1 inhibitors and methods of use	20190503
WO-2020023355-A1	Inhibitors of indoleamine 2,3-dioxygenase and methods of their use	20180723
WO-2019209948-A9	Compounds and uses thereof	20180425
US-2021107920-A1	Oxazine monoacylglycerol lipase (magl) inhibitors	20180322
US-2020331912-A1	Oxadiazole derivatives as rho-kinase inhibitors	20171218

PMID	Publication Date	Title	Journal
22924387	20121119	The mitochondrial Amidoxime Reducing Component (mARC) is involved in detoxification of N-hydroxylated base analogues	Chemical research in toxicology
22376298	20120319	How amidoximate binds the uranyl cation	Inorganic chemistry
22203676	20120224	Amidoxime reductase system containing cytochrome b5 type B (CYB5B) and MOSC2 is of importance for lipid synthesis in adipocyte mitochondria	The Journal of biological chemistry
21450516	20110601	Experimental and theoretical investigations of benzamide oxime	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21226472	20110207	Insight into technetium amidoxime complex: oxo technetium(V) complex of N-substituted benzamidoxime as new basic structure for molecular imaging	Inorganic chemistry

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	136.063662883
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	136.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1