4-Methylbenzamide oxime

CAT: 0804-HY-W055845-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0804-HY-W055845-01Size:1 g

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Description

4-Methylbenzamide oxime is a model of benzamide oxime and can be used as a substrate for mitochondrial amidoxime reducing component (mARC) catalytic enzyme reduction[1].

CAS Number

19227-13-5

UNSPSC

12352005

Hazard Statement

H315, H319, H335

Target

Biochemical Assay Reagents

Related Pathways

Others

Field of Research

Others

Purity

99.75

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

N=C(C1=CC=C(C)C=C1)NO

Molecular Formula

C8H10N2O

Molecular Weight

150.18

Precautions

H315, H319, H335

References & Citations

[1]Bauch E, et al. Electrochemical and mARC-catalyzed enzymatic reduction of para-substituted benzamidoximes: consequences for the prodrug concept "amidoximes instead of amidines". ChemMedChem. 2015 Feb;10 (2) :360-7.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

4-Methylbenzamide oxime

CAS Number	19227-13-5
PubChem CID	5493168
IUPAC Name	N'-hydroxy-4-methylbenzenecarboximidamide
Molecular Formula	C8H10N2O
Molecular Weight	150.18
XLogP	1.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	148

SMILES

CC1=CC=C(C=C1)/C(=N/O)/N

InChI

InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(9)10-11/h2-5,11H,1H3,(H2,9,10)

InChIKey

NKJXMLIWSJATEE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19227-13-5

CID: 5493168

Formula: C8H10N2O

MW: 150.18

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	150.18
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	150.079312947
Monoisotopic Mass	150.079312947
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	148
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-254705	4-Methylbenzamide oxime
sc-281355	3-Fluoro-4-methylbenzamide oxime
sc-205112A	3-Methylbenzamide oxime
KCA22152-01	4-Hydroxybenzaldehyde oxime
013315	4’-Hydroxyacetophenone Oxime
MBS6057794-01	4'-Hydroxyacetophenone Oxime
sc-277520	4-methylbenzaldehyde oxime
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4-Methylbenzamide oxime

Chemical Information

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