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N-Methyl-4-Pyridinemethanamine
CAS: 6971-44-4 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6971-44-4
Molecular Formula:
C7H10N2
Molecular Weight:
122.17099999999996 g/mol
Names and Synonyms:
N-Methyl-4-Pyridinemethanamine
N-Methyl-1-(pyridin-4-yl)methanamine
N-[(Pyridin-4-yl)methyl]methylamine
Methyl(pyridin-4-ylmethyl)amine
NSC 66533
N-Methyl-N-(pyridin-4-ylmethyl)amine
4-(N-Methylaminomethyl)pyridine
N-Methyl-N-(4-pyridylmethyl)amine
4-(Methylaminomethyl)pyridine
N-Methyl-4-pyridinemethanamine
Pyridine, 4-[(methylamino)methyl]-
4-Pyridinemethanamine, N-methyl-
Identifiers:
SMILES:
CNCc1ccncc1
InChI:
InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 122.17 g/mol | Legacy Database |
| cas-boiling-point | 84 °C None | Legacy Database |
| cas-canonical-smile | N=1C=CC(=CC1)CNC None | Legacy Database |
| cas-inchi | InChI=1S/C7H10N2/c1-8-6-7-2-4-9-5-3-7/h2-5,8H,6H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=DNBWGFKLIBQQSL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | N-Methyl-4-pyridinemethanamine None | Legacy Database |
| LogP | 0.8009999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.17099999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.08439831999999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 24.92 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.00070000000001 | RDKit |
