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4-Pyridineethanamine
CAS: 13258-63-4 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13258-63-4
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
4-Pyridineethanamine
4-Pyridineethanamine
Pyridine, 4-(2-aminoethyl)-
4-(2-Aminoethyl)pyridine
4-Pyridylethylamine
2-(γ-Pyridyl)ethylamine
2-(4-Pyridyl)ethylamine
4-(β-Aminoethyl)pyridine
2-(4-Pyridyl)ethanamine
2-(4-Pyridinyl)ethylamine
NSC 194298
2-(Pyridin-4-yl)ethanamine
2-(Pyridine-4-yl)ethanamine
2-(Pyridin-4-yl)ethan-1-amine
Identifiers:
SMILES:
NCCc1ccncc1
InChI:
InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2
Key Properties
Boiling Point
121 °C
CAS Common Chemistry
Melting Point
115-116 °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 | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999996 g/mol | RDKit | |
| 122.08439831999999 g/mol | RDKit | |
| Boiling Point | 121 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(=CC1)CCN | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1,4,8H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IDLHTECVNDEOIY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115-116 °C | CAS Common Chemistry |
| Name | 4-Pyridineethanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| LogP | 0.5827999999999998 | RDKit |
| Molar Refractivity | 36.99540000000001 | RDKit |
