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Diphenylamine
CAS: 122-39-4 | C12H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
122-39-4
Molecular Formula:
C12H11N
Molecular Mass:
169.23 g/mol
Names and Synonyms:
Diphenylamine
Benzenamine, N-phenyl-
Diphenylamine
N-Phenylbenzenamine
Anilinobenzene
DFA
DPA
Benzene, (phenylamino)-
N,N-Diphenylamine
N-Phenylaniline
DBA
No-Scald
Naugalube 428L
NSC 215210
Antioxidant DPA
N-Phenyl-α-aniline
Identifiers:
SMILES:
c1ccc(Nc2ccccc2)cc1
InChI:
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
Key Properties
Boiling Point
302 °C
CAS Common Chemistry
Melting Point
53-54 °C
CAS Common Chemistry
Density
1.16 g/cm³
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 | 169.23 g/mol | CAS Common Chemistry |
| 169.227 g/mol | RDKit | |
| 169.089149352 g/mol | RDKit | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.16 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Diphenylamine | CAS Common Chemistry |
| Boiling Point | 302 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H | CAS Common Chemistry |
| InChI Key | InChIKey=DMBHHRLKUKUOEG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 53-54 °C | CAS Common Chemistry |
| Name | Diphenylamine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.430200000000001 | RDKit |
| Molar Refractivity | 56.16670000000003 | RDKit |
