2-Nitrobenzyl Cyclohexylcarbamate
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
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
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
278.12665706 g/mol
Monoisotopic Mass
278.12665706 g/mol
Topological Polar Surface Area
84.2Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
337
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
