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Molecule
3-Methyl-2-Pyridinemethanamine
CAS: 153936-26-6 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 153936-26-6
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
153936-26-6
SMILES
Cc1cccnc1CN
InChI Key
QNLAYSBIWHHNIT-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,5,8H2,1H3
Names and Synonyms
- 3-Methyl-2-Pyridinemethanamine Synonym
- 2-Pyridinemethanamine, 3-methyl- Synonym
- 3-Methyl-2-pyridinemethanamine Synonym
- 3-Methyl-2-pyridinemethylamine Synonym
- C-(3-Methylpyridin-2-yl)methylamine Synonym
- 3-Methylpyridine-2-methanamine Synonym
- 3-Methyl-2-aminomethylpyridine Synonym
- 2-(Aminomethyl)-3-methylpyridine Synonym
- [(3-Methylpyridin-2-yl)methyl]amine Synonym
- (3-Methylpyridin-2-yl)methanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17100000000002 g/mol | RDKit | |
| 122.171 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 |
| 38.38 Ų | chempirical lib | |
| LogP | 0.8487200000000001 | RDKit |
| 0.8487 | RDKit | |
| Molar Refractivity | 36.865399999999994 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2857 | RDKit |
| 0.29 | chempirical lib | |
| Exact Mass | 122.08439831999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 122.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10N2.
