2-Nitrobenzyl Cyclohexylcarbamate

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Molecular Formula:

C14H18N2O4

Molecular Weight:

278.31

CAS Number:

119137-03-0

Catalog Number:

119137-03-0

Product Information

Molecular Formula:

C14H18N2O4

Molecular Weight:

278.31

Description

2-Nitrobenzyl Cyclohexylcarbamate is a highly potent compound widely employed in the biomedical field. Its multifaceted utility extends to combating an array of ailments such as cancer and inflammatory afflictions. Notably, this pharmaceutical agent demonstrates unparalleled efficacy through its targeted receptor interactions and modulation of enzymatic cascades.

Synonyms

Cyclohexylcarbamic Acid 2-Nitrobenzyl Ester

IUPAC Name

(2-nitrophenyl)methyl N-cyclohexylcarbamate

Canonical SMILES

C1CCC(CC1)NC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c17-14(15-12-7-2-1-3-8-12)20-10-11-6-4-5-9-13(11)16(18)19/h4-6,9,12H,1-3,7-8,10H2,(H,15,17)

InChI Key

NJMCHQONLVUNAM-UHFFFAOYSA-N

Melting Point

104 °C

Purity

>98.0%(HPLC)(N)

Appearance

White to Almost white powder to crystal

Computed Properties

XLogP3

3.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

278.12665706 g/mol

Monoisotopic Mass

278.12665706 g/mol

Topological Polar Surface Area

84.2Å²

Heavy Atom Count

Formal Charge

Complexity

337

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2-Nitrobenzyl Cyclohexylcarbamate

Product Information

Computed Properties

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