Back to Search
3-Pyridinemethanamine
CAS: 3731-52-0 | C6H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3731-52-0
Molecular Formula:
C6H8N2
Molecular Mass:
108.14 g/mol
Names and Synonyms:
3-Pyridinemethanamine
3-Pyridinemethanamine
Pyridine, 3-(aminomethyl)-
3-Picolylamine
3-Pyridylmethylamine
3-(Aminomethyl)pyridine
3-Pyridinemethylamine
β-Pyridylmethylamine
Picolamine
(3-Pyridinylmethyl)amine
1-(Pyridin-3-yl)methanamine
NSC 59706
Pyridin-3-ylmethanamine
3-Pyridylmethanamine
N-(3-Pyridylmethyl)amine
m-Picolylamine
Identifiers:
SMILES:
NCc1cccnc1
InChI:
InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
Key Properties
Boiling Point
226 °C
CAS Common Chemistry
Melting Point
-21.1 °C
CAS Common Chemistry
Density
1.06 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 | 1.06 g/cm³ | CAS Common Chemistry |
| 1.062 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 226 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(C1)CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HDOUGSFASVGDCS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -21.1 °C | CAS Common Chemistry |
| Name | 3-Pyridinemethanamine | 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 | 0.5403 | RDKit |
| Molar Refractivity | 32.1284 | RDKit |
