Back to Search
2-Picolylamine
CAS: 3731-51-9 | C6H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3731-51-9
Molecular Formula:
C6H8N2
Molecular Weight:
108.14399999999998 g/mol
Names and Synonyms:
2-Picolylamine
o-Picolylamine
2-Pyridylmethanamine
(Pyridin-2-ylmethyl)amine
2-(2-Aminomethyl)pyridine
Pyridin-2-ylmethanamine
NSC 59705
1-(Pyridin-2-yl)methanamine
2-Pyridinylmethylamine
α-Picolylamine
α-(Aminomethyl)pyridine
(2-Pyridylmethyl)amine
2-Pyridinemethylamine
2-Picolinamine
2-Picolylamine
2-(Aminomethyl)pyridine
Pyridine, 2-(aminomethyl)-
2-Pyridinemethanamine
Identifiers:
SMILES:
NCc1ccccn1
InChI:
InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 108.14 g/mol | Legacy Database |
| density | 1.11 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Picolylamine None | Legacy Database |
| cas-boiling-point | 203 °C None | Legacy Database |
| cas-canonical-smile | N=1C=CC=CC1CN None | Legacy Database |
| cas-density | 1.105 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=WOXFMYVTSLAQMO-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 81 °C None | Legacy Database |
| cas-name | 2-Pyridinemethanamine None | Legacy Database |
| wikipedia-name | 2-Picolylamine None | Legacy Database |
| LogP | 0.5403000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.14399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.06874825599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.91 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 32.1284 | RDKit |
