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4,4′-Cyclohexylidenebis[Benzenamine]
CAS: 3282-99-3 | C18H22N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3282-99-3
Molecular Formula:
C18H22N2
Molecular Mass:
266.39 g/mol
Names and Synonyms:
4,4′-Cyclohexylidenebis[Benzenamine]
Benzenamine, 4,4′-cyclohexylidenebis-
Aniline, 4,4′-cyclohexylidenedi-
4,4′-Cyclohexylidenebis[benzenamine]
1,1-Bis(4-aminophenyl)cyclohexane
4,4′-Cyclohexylidenedianiline
[4-[1-(4-Aminophenyl)cyclohexyl]phenyl]amine
4,4′-(Cyclohexane-1,1-diyl)dianiline
Identifiers:
SMILES:
Nc1ccc(C2(c3ccc(N)cc3)CCCCC2)cc1
InChI:
InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2
Key Properties
Melting Point
114 °C @ Solvent: Benzene
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 266.39 g/mol | CAS Common Chemistry |
| 266.3879999999999 g/mol | RDKit | |
| 266.178298704 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1)C2(C3=CC=C(N)C=C3)CCCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZSQIQUAKDNTQOI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 114 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 4,4′-Cyclohexylidenebis[benzenamine] | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.04 Ų | RDKit |
| LogP | 4.101200000000003 | RDKit |
| Molar Refractivity | 85.57380000000003 | RDKit |
