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P-Tritylaniline
CAS: 22948-06-7 | C25H21N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22948-06-7
Molecular Formula:
C25H21N
Molecular Mass:
335.45 g/mol
Names and Synonyms:
P-Tritylaniline
Benzenamine, 4-(triphenylmethyl)-
p-Toluidine, α,α,α-triphenyl-
4-(Triphenylmethyl)benzenamine
Triphenyl(p-aminophenyl)methane
p-Aminotetraphenylmethane
p-Tritylaniline
4-(Triphenylmethyl)aniline
1-Amino-4-(triphenylmethyl)benzene
α,α,α-Triphenyl-p-toluidine
4-(Trityl)aniline
NSC 2085
4-(Aminophenyl)triphenylmethane
Identifiers:
SMILES:
Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2
Key Properties
Melting Point
250 °C
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 |
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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 | 335.45 g/mol | CAS Common Chemistry |
| 335.45000000000005 g/mol | RDKit | |
| 335.167399672 g/mol | RDKit | |
| Canonical SMILES | NC1=CC=C(C=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XYHDHXBLSLSXSR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 250 °C | CAS Common Chemistry |
| Name | p-Tritylaniline | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 5.651500000000004 | RDKit |
| Molar Refractivity | 109.16440000000001 | RDKit |
