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N,N′-Diphenyl-P-Phenylenediamine
CAS: 74-31-7 | C18H16N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
74-31-7
Molecular Formula:
C18H16N2
Molecular Weight:
260.34000000000003 g/mol
Names and Synonyms:
N,N′-Diphenyl-P-Phenylenediamine
1,4-Benzenediamine, N1,N4-diphenyl-
p-Phenylenediamine, N,N′-diphenyl-
1,4-Benzenediamine, N,N′-diphenyl-
N1,N4-Diphenyl-1,4-benzenediamine
AgeRite DPPD
1,4-Bis(phenylamino)benzene
1,4-Dianilinobenzene
N,N′-Diphenyl-p-phenylenediamine
4,4′-Diphenyl-p-phenylenediamine
DPPD
Flexamine G
JZF
Nonox DPPD
4-Phenylaminodiphenylamine
p-Phenylaminodiphenylamine
Diafen FF
Diphenyl-p-phenylenediamine
N,N′-Diphenyl-1,4-phenylenediamine
Altofane DIP
Nonflex H
Permanax 18
Stabilizer DPPD
p-Bis(phenylamino)benzene
Nocrac DP
Permanax DPPD
DFFD
Antage DP
Ekaland DPPD
Naugard J
Antigen P
Antigene P
Antioxidant H
N,N′-Diphenyl-1,4-benzenediamine
NSC 5761
Diafen FF-T
PPD
Antioxidant PPD
Antioxidant 7PPD
1,4-Benzenediamine N1,N4-diphenyl-
1-N,4-N-Diphenylbenzene-1,4-diamine
Vulkanox DPPD
DAPD
Identifiers:
SMILES:
c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
InChI:
InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 260.34000000000003 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 260.131348512 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 20 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 3 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.06 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 5.1738000000000035 | RDKit |
| molecular_mass | 260.34 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| cas-boiling-point | 220-225 °C @ Press: 0.5 Torr None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)NC2=CC=C(C=C2)NC=3C=CC=CC3 None | Legacy Database |
| cas-density | 1.20 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H None | Legacy Database |
| cas-inchi-key | InChIKey=UTGQNNCQYDRXCH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 150-151 °C None | Legacy Database |
| cas-name | N,N′-Diphenyl-p-phenylenediamine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 85.89140000000003 | RDKit |
