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4-Aminodiphenylamine
CAS: 101-54-2 | C12H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
101-54-2
Molecular Formula:
C12H12N2
Molecular Mass:
184.24 g/mol
Names and Synonyms:
4-Aminodiphenylamine
Peltol BR
Peltol BR II
N-Phenyl-p-aminoaniline
N-Phenyl-p-phenylenediamine
4-Aminodiphenylamine
p-Anilinoaniline
N-Phenyl-1,4-phenylenediamine
Semidine
Semidin
p-(Phenylamino)aniline
N,4′-Bianiline
p-Semidine
N-Phenyl-1,4-benzenediamine
4-(Phenylamino)aniline
4-Amino-N-phenylaniline
N-(4-Aminophenyl)aniline
4ADPA
4-Anilinoaniline
(4-(Phenylamino)phenyl)amine
NSC 3401
NSC 37074
4-Anilinophenylamine
4-(N-Phenylamino)aniline
S 789
Azoic Diazo Component 22
1-N-Phenylbenzene-1,4-diamine
1,4-Benzenediamine, N1-phenyl-
p-Phenylenediamine, N-phenyl-
1,4-Benzenediamine, N-phenyl-
Variamine Blue RT
N1-Phenyl-1,4-benzenediamine
C.I. 76085
p-Aminodiphenylamine
C.I. Developer 15
C.I. Oxidation Base 2
Diphenyl Black
Luxan Black R
Identifiers:
SMILES:
Nc1ccc(Nc2ccccc2)cc1
InChI:
InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Key Properties
Boiling Point
354 °C
CAS Common Chemistry
Melting Point
75 °C
CAS Common Chemistry
Density
1.09 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 | 184.24 g/mol | CAS Common Chemistry |
| 184.24200000000002 g/mol | RDKit | |
| 184.100048384 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.09 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4-Aminodiphenylamine | CAS Common Chemistry |
| Boiling Point | 354 °C | CAS Common Chemistry |
| Canonical SMILES | NC1=CC=C(C=C1)NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ATGUVEKSASEFFO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | N-Phenyl-p-phenylenediamine | CAS Common Chemistry |
| 4-Aminodiphenylamine | CAS Common Chemistry | |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 3.0124000000000013 | RDKit |
| Molar Refractivity | 60.579100000000025 | RDKit |
