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2,2'-Dipyridylamine
CAS: 1202-34-2 | C10H9N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1202-34-2
Molecular Formula:
C10H9N3
Molecular Mass:
171.20 g/mol
Names and Synonyms:
2,2'-Dipyridylamine
2-Pyridinamine, N-2-pyridinyl-
Pyridine, 2,2′-iminodi-
N-2-Pyridinyl-2-pyridinamine
2,2′-Dipyridylamine
Di-2-pyridylamine
2,2′-Bipyridylamine
Di-α-pyridylamine
2,2′-Iminodipyridine
Bis(2-pyridyl)amine
2-(2-Pyridylamino)pyridine
Bis(o-pyridyl)amine
NSC 7494
Bis(pyridin-2-yl)amine
Dipyridin-2-ylamine
Identifiers:
SMILES:
c1ccc(Nc2ccccn2)nc1
InChI:
InChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)
Key Properties
Boiling Point
307.5 °C
CAS Common Chemistry
Melting Point
90.5 °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 | 171.20 g/mol | CAS Common Chemistry |
| 171.203 g/mol | RDKit | |
| 171.079647288 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2,2%27-Dipyridylamine | CAS Common Chemistry |
| Boiling Point | 307.5 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1NC2=NC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=HMMPCBAWTWYFLR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 90.5 °C | CAS Common Chemistry |
| Name | 2,2′-Dipyridylamine | CAS Common Chemistry |
| 2,2'-Dipyridylamine | CAS Common Chemistry | |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 37.81 Ų | RDKit |
| LogP | 2.2201999999999993 | RDKit |
| Molar Refractivity | 51.756700000000016 | RDKit |
