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N-Phenyl-O-Phenylenediamine
CAS: 534-85-0 | C12H12N2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
534-85-0
Molecular Formula:
C12H12N2
Molecular Mass:
184.24 g/mol
Names and Synonyms:
N-Phenyl-O-Phenylenediamine
1,2-Benzenediamine, N1-phenyl-
o-Phenylenediamine, N-phenyl-
1,2-Benzenediamine, N-phenyl-
N1-Phenyl-1,2-benzenediamine
C.I. 50005
N-Phenyl-o-phenylenediamine
o-Semidine
o-Aminodiphenylamine
2-Aminodiphenylamine
N-Phenyl-1,2-benzenediamine
2-Anilinoaniline
N-Phenyl-1,2-phenylenediamine
N-Phenyl-1,2-diaminobenzene
NSC 18731
NSC 33960
N-Phenyl-N-(2-aminophenyl)amine
2-(N-Phenylamino)aniline
2-(Phenylamino)aniline
N-Phenyl-ortho-phenylenediamine
2-Amino-N-phenylaniline
N′-Phenylbenzene-1,2-diamine
N1-Phenylbenzene-1,2-diamine
1-N-Phenylbenzene-1,2-diamine
2-N-Phenylbenzene-1,2-diamine
Identifiers:
SMILES:
Nc1ccccc1Nc1ccccc1
InChI:
InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2
Key Properties
Boiling Point
313 °C
CAS Common Chemistry
Melting Point
79.5 °C
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 | |
| Boiling Point | 313 °C | CAS Common Chemistry |
| Canonical SMILES | NC=1C=CC=CC1NC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=NFCPRRWCTNLGSN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 79.5 °C | CAS Common Chemistry |
| Name | N-Phenyl-o-phenylenediamine | 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 | 60.57910000000002 | RDKit |
