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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 Mass:
108.14 g/mol
Names and Synonyms:
2-Picolylamine
2-Pyridinemethanamine
Pyridine, 2-(aminomethyl)-
2-(Aminomethyl)pyridine
2-Picolylamine
2-Picolinamine
2-Pyridinemethylamine
(2-Pyridylmethyl)amine
α-(Aminomethyl)pyridine
α-Picolylamine
2-Pyridinylmethylamine
1-(Pyridin-2-yl)methanamine
NSC 59705
Pyridin-2-ylmethanamine
2-(2-Aminomethyl)pyridine
(Pyridin-2-ylmethyl)amine
2-Pyridylmethanamine
o-Picolylamine
Identifiers:
SMILES:
NCc1ccccn1
InChI:
InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
Key Properties
Boiling Point
203 °C
CAS Common Chemistry
Melting Point
81 °C
CAS Common Chemistry
Density
1.11 g/cm³
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 | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999998 g/mol | RDKit | |
| 108.06874825599999 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.105 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Picolylamine | CAS Common Chemistry |
| Boiling Point | 203 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WOXFMYVTSLAQMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81 °C | CAS Common Chemistry |
| Name | 2-Pyridinemethanamine | CAS Common Chemistry |
| 2-Picolylamine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.91 Ų | RDKit |
| LogP | 0.5403000000000001 | RDKit |
| Molar Refractivity | 32.1284 | RDKit |
