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3-Methyl-2-Pyridinemethanamine
CAS: 153936-26-6 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
153936-26-6
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
3-Methyl-2-Pyridinemethanamine
2-Pyridinemethanamine, 3-methyl-
3-Methyl-2-pyridinemethanamine
3-Methyl-2-pyridinemethylamine
C-(3-Methylpyridin-2-yl)methylamine
3-Methylpyridine-2-methanamine
3-Methyl-2-aminomethylpyridine
2-(Aminomethyl)-3-methylpyridine
[(3-Methylpyridin-2-yl)methyl]amine
(3-Methylpyridin-2-yl)methanamine
Identifiers:
SMILES:
Cc1cccnc1CN
InChI:
InChI=1S/C7H10N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,5,8H2,1H3
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 |
| 122.17100000000002 g/mol | RDKit | |
| 122.08439831999999 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=C(C1CN)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,5,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QNLAYSBIWHHNIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3-Methyl-2-pyridinemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 0.8487200000000001 | RDKit |
| Molar Refractivity | 36.865399999999994 | RDKit |
