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Α-Methyl-3-Pyridinemethanamine
CAS: 56129-55-6 | C7H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56129-55-6
Molecular Formula:
C7H10N2
Molecular Mass:
122.17 g/mol
Names and Synonyms:
Α-Methyl-3-Pyridinemethanamine
3-Pyridinemethanamine, α-methyl-
Pyridine, 3-(1-aminoethyl)-
α-Methyl-3-pyridinemethanamine
1-(3-Pyridyl)ethylamine
1-(3′-Pyridyl)-1-aminoethane
3-(1-Aminoethyl)pyridine
(±)-3-(1-Aminoethyl)pyridine
(±)-1-(3-Pyridyl)ethylamine
[1-(Pyridin-3-yl)ethyl]amine
1-(Pyridin-3-yl)ethanamine
1-(3-Pyridyl)ethanamine
1-(Pyridin-3-yl)ethan-1-amine
Identifiers:
SMILES:
CC(N)c1cccnc1
InChI:
InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3
Key Properties
Boiling Point
118-120 °C @ Press: 14 Torr
CAS Common Chemistry
Melting Point
63 °C
CAS Common Chemistry
Density
1.01 g/cm³
CAS Common Chemistry
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 |
| 122.17099999999996 g/mol | RDKit | |
| 122.08439831999999 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.014 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 118-120 °C @ Press: 14 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=C(C1)C(N)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2/c1-6(8)7-3-2-4-9-5-7/h2-6H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IQVQNBXPYJGNEA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 63 °C | CAS Common Chemistry |
| Name | α-Methyl-3-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 | 1.1013000000000002 | RDKit |
| Molar Refractivity | 36.83940000000001 | RDKit |
