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N-Ethyl-4-Pyridinemethanamine
CAS: 33403-97-3 | C8H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
33403-97-3
Molecular Formula:
C8H12N2
Molecular Mass:
136.20 g/mol
Names and Synonyms:
N-Ethyl-4-Pyridinemethanamine
4-Pyridinemethanamine, N-ethyl-
Pyridine, 4-[(ethylamino)methyl]-
N-Ethyl-4-pyridinemethanamine
γ-Picolylethylamine
4-[(Ethylamino)methyl]pyridine
4-(N-Ethylaminomethyl)pyridine
N-Ethyl-4-picolylamine
Ethyl(4-pyridinylmethyl)amine
N-Ethyl-N-(pyridin-4-ylmethyl)amine
N-(4-Pyridylmethyl)ethylamine
NSC 85903
N-[(Pyridin-4-yl)methyl]ethylamine
N-(Pyridin-4-ylmethyl)ethanamine
Identifiers:
SMILES:
CCNCc1ccncc1
InChI:
InChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h3-6,9H,2,7H2,1H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.19799999999998 g/mol | RDKit | |
| 136.100048384 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=CC1)CNCC | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h3-6,9H,2,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZBAMQLFFVBPAOX-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | N-Ethyl-4-pyridinemethanamine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| LogP | 1.1911 | RDKit |
| Molar Refractivity | 41.61770000000002 | RDKit |
