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Molecule
4-Aminodiphenylamine
CAS: 101-54-2 · C12H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 101-54-2
- Molecular Formula
- C12H12N2
- Molecular Mass
- 184.24 g/mol
Identifiers
CAS Registry Number
101-54-2
SMILES
Nc1ccc(Nc2ccccc2)cc1
InChI Key
ATGUVEKSASEFFO-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,14H,13H2
Names and Synonyms
- 4-Aminodiphenylamine Systematic Name
- Peltol BR Synonym
- Peltol BR II Synonym
- N-Phenyl-p-aminoaniline Synonym
- N-Phenyl-p-phenylenediamine Synonym
- 4-Aminodiphenylamine Synonym
- p-Anilinoaniline Synonym
- N-Phenyl-1,4-phenylenediamine Synonym
- Semidine Synonym
- Semidin Synonym
- p-(Phenylamino)aniline Synonym
- N,4′-Bianiline Synonym
- p-Semidine Synonym
- N-Phenyl-1,4-benzenediamine Synonym
- 4-(Phenylamino)aniline Synonym
- 4-Amino-N-phenylaniline Synonym
- N-(4-Aminophenyl)aniline Synonym
- 4ADPA Synonym
- 4-Anilinoaniline Synonym
- (4-(Phenylamino)phenyl)amine Synonym
- NSC 3401 Synonym
- NSC 37074 Synonym
- 4-Anilinophenylamine Synonym
- 4-(N-Phenylamino)aniline Synonym
- S 789 Synonym
- Azoic Diazo Component 22 Synonym
- 1-N-Phenylbenzene-1,4-diamine Synonym
- 1,4-Benzenediamine, N1-phenyl- Synonym
- p-Phenylenediamine, N-phenyl- Synonym
- 1,4-Benzenediamine, N-phenyl- Synonym
- Variamine Blue RT Synonym
- N1-Phenyl-1,4-benzenediamine Synonym
- C.I. 76085 Synonym
- p-Aminodiphenylamine Synonym
- C.I. Developer 15 Synonym
- C.I. Oxidation Base 2 Synonym
- Diphenyl Black Synonym
- Luxan Black R Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.24 g/mol | CAS Common Chemistry |
| 184.24200000000002 g/mol | RDKit | |
| 184.242 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 |
| 3.0124 | RDKit | |
| Molar Refractivity | 60.579100000000025 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 184.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 184.24 g/mol; density = 1.090 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12N2.
