Back to Search
Molecule
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
Identifiers
CAS Registry Number
122-39-4
SMILES
c1ccc(Nc2ccccc2)cc1
InChI Key
DMBHHRLKUKUOEG-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
Names and Synonyms
- Diphenylamine Synonym
- Benzenamine, N-phenyl- Synonym
- Diphenylamine Synonym
- N-Phenylbenzenamine Synonym
- Anilinobenzene Synonym
- DFA Synonym
- DPA Synonym
- Benzene, (phenylamino)- Synonym
- N,N-Diphenylamine Synonym
- N-Phenylaniline Synonym
- DBA Synonym
- No-Scald Synonym
- Naugalube 428L Synonym
- NSC 215210 Synonym
- Antioxidant DPA Synonym
- N-Phenyl-α-aniline Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 169.23 g/mol | CAS Common Chemistry |
| 169.227 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 |
| 3.4302 | RDKit | |
| Molar Refractivity | 56.16670000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 169.089149352 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 169.23 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H11N.
