Home Structure This Compound
loading

Structure of 1-Phenylamino-cyclohexanecarboxylic acid (C13H17NO2)

Powered by CC-DPS Delivering 2,100+ Information Sets per Compound.

2D chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid
Chemical Formula C13H17NO2
Molecular Weight 219.27958 g/mol
IUPAC Name 1-(phenylamino)cyclohexane-1-carboxylic acid
SMILES String OC(=O)C1(CCCCC1)Nc2ccccc2
InChI InChI=1S/C13H17NO2/c15-12(16)13(9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)
InChIKey OTNSACVQMVZOHD-UHFFFAOYSA-N
Citation CC-DPS (Chemical Compounds Deep Profiling Services; https://www.cc-dps.com) powered by 41 patented QSQN technology based on Quantum Chemistry, Statistical Thermodynamics, Quantitative Structure-Property Relationship (QSPR), and Neural Network.

Content on this page is sourced from CC-DPS (Chemical Compounds Deep Profiling Services), which provides more than 2,100 additional essential information sets for each chemical compound. Discover CC-DPS

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-Phenylamino-cyclohexanecarboxylic acid molecule contains a total of 34 bond(s). There are 17 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aromatic), and 1 hydroxyl group(s). Images of the chemical structure of 1-Phenylamino-cyclohexanecarboxylic acid are given below:

2D chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid
2-dimensional (2D) chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid
3D chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid
3-dimensional (3D) chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid

The 2D chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Phenylamino-cyclohexanecarboxylic acid are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of 1-Phenylamino-cyclohexanecarboxylic acid is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 1-Phenylamino-cyclohexanecarboxylic acid. Download structure data file (SDF/MOL) file of this compound.


Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of 1-Phenylamino-cyclohexanecarboxylic acid is provided here.

The 1-Phenylamino-cyclohexanecarboxylic acid molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 1-Phenylamino-cyclohexanecarboxylic acid molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 1-Phenylamino-cyclohexanecarboxylic acid can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.


Search Another Chemical Structure

Enter another compound to search for chemical structure:

Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 1-Phenylamino-cyclohexanecarboxylic acid Molecule

  • Other names (synonyms) or registry numbers of 1-Phenylamino-cyclohexanecarboxylic acid

    The 1-Phenylamino-cyclohexanecarboxylic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-Phenylamino-cyclohexanecarboxylic acid including the various registry numbers, if available:

    • Y-1227
    • 1-PHENYLAMINO-CYCLOHEXANECARBOXYLICACID
    • MFCD04116948
    • ZX-CM014660
    • Cyclohexanecarboxylic acid, 1-(phenylamino)-
    • 1-(phenylamino)cyclohexanecarboxylic acid
    • 1-anilinocyclohexane-1-carboxylic Acid
    • 1-anilinocyclohexanecarboxylic acid
    • 1-Phenylamino-cyclohexanecarboxylic acid
    • 87967-38-2

1-Phenylamino-cyclohexanecarboxylic acid Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Phenylamino-cyclohexanecarboxylic acid?
C13H17NO2
How many atoms and what are the elements included the 1-Phenylamino-cyclohexanecarboxylic acid molecule?
33 atom(s) - 17 Hydrogen atom(s), 13 Carbon atom(s), 1 Nitrogen atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-Phenylamino-cyclohexanecarboxylic acid structure?
34 bond(s) - 17 non-H bond(s), 7 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), 6 aromatic bond(s), 2 six-membered ring(s), 1 carboxylic acid(s) (aliphatic), 1 secondary amine(s) (aromatic), and 1 hydroxyl group(s)
What’s the 1-Phenylamino-cyclohexanecarboxylic acid’s molecular weight?
219.27958 g/mol
What’s the SMILES code of 1-Phenylamino-cyclohexanecarboxylic acid?
OC(=O)C1(CCCCC1)Nc2ccccc2
What’s the InChI string of 1-Phenylamino-cyclohexanecarboxylic acid?
InChI=1S/C13H17NO2/c15-12(16)13(9-5-2-6-10-13)14-11-7-3-1-4-8-11/h1,3-4,7-8,14H,2,5-6,9-10H2,(H,15,16)
What’s the InChIKey code of 1-Phenylamino-cyclohexanecarboxylic acid?
OTNSACVQMVZOHD-UHFFFAOYSA-N