Back to Search
Molecule
Pyridine-2-Azo-P-Dimethylaniline
CAS: 13103-75-8 · C13H14N4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 13103-75-8
- Molecular Formula
- C13H14N4
- Molecular Mass
- 226.28 g/mol
Identifiers
CAS Registry Number
13103-75-8
SMILES
CN(C)c1ccc(N=Nc2ccccn2)cc1
InChI Key
IOJNPSPGHUEJAQ-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3
Names and Synonyms
- Pyridine-2-Azo-P-Dimethylaniline Common Name
- Benzenamine, N,N-dimethyl-4-[2-(2-pyridinyl)diazenyl]- Synonym
- Pyridine, 2-[[p-(dimethylamino)phenyl]azo]- Synonym
- Benzenamine, N,N-dimethyl-4-(2-pyridinylazo)- Synonym
- N,N-Dimethyl-4-[2-(2-pyridinyl)diazenyl]benzenamine Synonym
- 4-(2-Pyridylazo)-N,N-dimethylaniline Synonym
- 2-[[p-(Dimethylamino)phenyl]azo]pyridine Synonym
- PADA Synonym
- p-(2-Pyridylazo)dimethylaniline Synonym
- 2-(p-N,N-Dimethylaminophenylazo)pyridine Synonym
- Pyridine-2-azo-p-dimethylaniline Synonym
- N,N-Dimethyl-4-(2-pyridylazo)aniline Synonym
- p-(2-Pyridylazo)-N,N-dimethylaniline Synonym
- NSC 9358 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 226.28 g/mol | CAS Common Chemistry |
| 226.28300000000002 g/mol | RDKit | |
| 226.283 g/mol | RDKit | |
| Canonical SMILES | N(=NC1=CC=C(C=C1)N(C)C)C2=NC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IOJNPSPGHUEJAQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142-143 °C | CAS Common Chemistry |
| Name | Pyridine-2-azo-p-dimethylaniline | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.85 Ų | RDKit |
| 40.09 Ų | chempirical lib | |
| LogP | 3.5630000000000015 | RDKit |
| 3.563 | RDKit | |
| Molar Refractivity | 69.18200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1538 | RDKit |
| 0.15 | chempirical lib | |
| Exact Mass | 226.12184644799999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 226.28 g/mol. Edit any field — others recompute live.
