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Molecule
N-Methyl-3-Pyridinemethanamine
CAS: 20173-04-0 · C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 20173-04-0
- Molecular Formula
- C7H10N2
- Molecular Mass
- 122.17 g/mol
Identifiers
CAS Registry Number
20173-04-0
SMILES
CNCc1cccnc1
InChI Key
MCSAQVGDZLPTBS-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3
Names and Synonyms
- N-Methyl-3-Pyridinemethanamine Common Name
- 3-Pyridinemethanamine, N-methyl- Synonym
- Pyridine, 3-[(methylamino)methyl]- Synonym
- N-Methyl-3-pyridinemethanamine Synonym
- N-Methyl-3-picolylamine Synonym
- 3-(Methylaminomethyl)pyridine Synonym
- N-Methyl-N-(3-pyridylmethyl)amine Synonym
- 3-(N-Methylaminomethyl)pyridine Synonym
- N-Methylpyridine-3-methanamine Synonym
- Methyl[(pyridin-3-yl)methyl]amine Synonym
- NSC 63901 Synonym
- NSC 66532 Synonym
- N-Methyl-N-(pyridin-3-ylmethyl)amine Synonym
- N-Methyl-1-(pyridin-3-yl)methanamine Synonym
- N-(Pyridin-3-ylmethyl)methylamine Synonym
- N-[(Pyridin-3-yl)methyl]-N-methylamine Synonym
- N-Methyl-1-(3-pyridyl)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 | |
| Canonical SMILES | N=1C=CC=C(C1)CNC | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MCSAQVGDZLPTBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Methyl-3-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 | 0.8010000000000002 | 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 |
| Boiling Point | 93-95 °C @ 12 Torr | CAS Common Chemistry |
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.
