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Molecule
N-Ethyl-4-Pyridinemethanamine
CAS: 33403-97-3 · C8H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 33403-97-3
- Molecular Formula
- C8H12N2
- Molecular Mass
- 136.20 g/mol
Identifiers
CAS Registry Number
33403-97-3
SMILES
CCNCc1ccncc1
InChI Key
ZBAMQLFFVBPAOX-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2/c1-2-9-7-8-3-5-10-6-4-8/h3-6,9H,2,7H2,1H3
Names and Synonyms
- N-Ethyl-4-Pyridinemethanamine Common Name
- 4-Pyridinemethanamine, N-ethyl- Synonym
- Pyridine, 4-[(ethylamino)methyl]- Synonym
- N-Ethyl-4-pyridinemethanamine Synonym
- γ-Picolylethylamine Synonym
- 4-[(Ethylamino)methyl]pyridine Synonym
- 4-(N-Ethylaminomethyl)pyridine Synonym
- N-Ethyl-4-picolylamine Synonym
- Ethyl(4-pyridinylmethyl)amine Synonym
- N-Ethyl-N-(pyridin-4-ylmethyl)amine Synonym
- N-(4-Pyridylmethyl)ethylamine Synonym
- NSC 85903 Synonym
- N-[(Pyridin-4-yl)methyl]ethylamine Synonym
- N-(Pyridin-4-ylmethyl)ethanamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.20 g/mol | CAS Common Chemistry |
| 136.19799999999998 g/mol | RDKit | |
| 136.198 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 |
| 24.39 Ų | chempirical lib | |
| LogP | 1.1911 | RDKit |
| Molar Refractivity | 41.61770000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.375 | RDKit |
| 0.38 | chempirical lib | |
| Exact Mass | 136.100048384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 136.20 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H12N2.
