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Molecule
N-Methyl-4-Pyridinemethanamine
CAS: 6971-44-4 · C7H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6971-44-4
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
6971-44-4
SMILES
CNCc1ccncc1
InChI Key
DNBWGFKLIBQQSL-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
Names and Synonyms
- N-Methyl-4-Pyridinemethanamine Common Name
- 4-Pyridinemethanamine, N-methyl- Synonym
- Pyridine, 4-[(methylamino)methyl]- Synonym
- N-Methyl-4-pyridinemethanamine Synonym
- 4-(Methylaminomethyl)pyridine Synonym
- N-Methyl-N-(4-pyridylmethyl)amine Synonym
- 4-(N-Methylaminomethyl)pyridine Synonym
- N-Methyl-N-(pyridin-4-ylmethyl)amine Synonym
- NSC 66533 Synonym
- Methyl(pyridin-4-ylmethyl)amine Synonym
- N-[(Pyridin-4-yl)methyl]methylamine Synonym
- N-Methyl-1-(pyridin-4-yl)methanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.17 g/mol | CAS Common Chemistry |
| 122.17099999999996 g/mol | RDKit | |
| 122.171 g/mol | RDKit | |
| Boiling Point | 84 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC(=CC1)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DNBWGFKLIBQQSL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-4-pyridinemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| 24.39 Ų | chempirical lib | |
| LogP | 0.8009999999999999 | RDKit |
| 0.801 | RDKit | |
| Molar Refractivity | 37.00070000000001 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
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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.
