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Molecule
2-Picolylamine
CAS: 3731-51-9 · C6H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 3731-51-9
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
3731-51-9
SMILES
NCc1ccccn1
InChI Key
WOXFMYVTSLAQMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
Names and Synonyms
- 2-Picolylamine Systematic Name
- 2-Pyridinemethanamine Synonym
- Pyridine, 2-(aminomethyl)- Synonym
- 2-(Aminomethyl)pyridine Synonym
- 2-Picolylamine Synonym
- 2-Picolinamine Synonym
- 2-Pyridinemethylamine Synonym
- (2-Pyridylmethyl)amine Synonym
- α-(Aminomethyl)pyridine Synonym
- α-Picolylamine Synonym
- 2-Pyridinylmethylamine Synonym
- 1-(Pyridin-2-yl)methanamine Synonym
- NSC 59705 Synonym
- Pyridin-2-ylmethanamine Synonym
- 2-(2-Aminomethyl)pyridine Synonym
- (Pyridin-2-ylmethyl)amine Synonym
- 2-Pyridylmethanamine Synonym
- o-Picolylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999998 g/mol | RDKit | |
| 108.144 g/mol | RDKit | |
| Density | 1.11 g/cm³ | CAS Common Chemistry |
| 1.105 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Picolylamine | CAS Common Chemistry |
| Boiling Point | 203 °C | CAS Common Chemistry |
| Canonical SMILES | N=1C=CC=CC1CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WOXFMYVTSLAQMO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 81 °C | CAS Common Chemistry |
| Name | 2-Pyridinemethanamine | CAS Common Chemistry |
| 2-Picolylamine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | 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 |
| 38.38 Ų | chempirical lib | |
| LogP | 0.5403000000000001 | RDKit |
| 0.5403 | RDKit | |
| Molar Refractivity | 32.1284 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1667 | RDKit |
| 0.17 | chempirical lib | |
| Exact Mass | 108.06874825599999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 108.14 g/mol; density = 1.110 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2.
