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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 5.1738000000000035 RDKit

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

Molar

Property Value Source
Molar Refractivity 85.89140000000003 RDKit

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