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Molecule
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
Identifiers
CAS Registry Number
534-85-0
SMILES
Nc1ccccc1Nc1ccccc1
InChI Key
NFCPRRWCTNLGSN-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2
Names and Synonyms
- N-Phenyl-O-Phenylenediamine Synonym
- 1,2-Benzenediamine, N1-phenyl- Synonym
- o-Phenylenediamine, N-phenyl- Synonym
- 1,2-Benzenediamine, N-phenyl- Synonym
- N1-Phenyl-1,2-benzenediamine Synonym
- C.I. 50005 Synonym
- N-Phenyl-o-phenylenediamine Synonym
- o-Semidine Synonym
- o-Aminodiphenylamine Synonym
- 2-Aminodiphenylamine Synonym
- N-Phenyl-1,2-benzenediamine Synonym
- 2-Anilinoaniline Synonym
- N-Phenyl-1,2-phenylenediamine Synonym
- N-Phenyl-1,2-diaminobenzene Synonym
- NSC 18731 Synonym
- NSC 33960 Synonym
- N-Phenyl-N-(2-aminophenyl)amine Synonym
- 2-(N-Phenylamino)aniline Synonym
- 2-(Phenylamino)aniline Synonym
- N-Phenyl-ortho-phenylenediamine Synonym
- 2-Amino-N-phenylaniline Synonym
- N′-Phenylbenzene-1,2-diamine Synonym
- N1-Phenylbenzene-1,2-diamine Synonym
- 1-N-Phenylbenzene-1,2-diamine Synonym
- 2-N-Phenylbenzene-1,2-diamine 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 | |
| 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 |
| 3.0124 | RDKit | |
| Molar Refractivity | 60.57910000000002 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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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
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MW = 184.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12N2.
