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Molecule
2-(Benzylamino)Pyridine
CAS: 6935-27-9 · C12H12N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6935-27-9
- Molecular Formula
- C12H12N2
- Molecular Mass
- 184.24 g/mol
Identifiers
CAS Registry Number
6935-27-9
SMILES
c1ccc(CNc2ccccn2)cc1
InChI Key
WYHXNQXDQQMTQI-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14)
Names and Synonyms
- 2-(Benzylamino)Pyridine Systematic Name
- 2-Pyridinamine, N-(phenylmethyl)- Synonym
- Pyridine, 2-(benzylamino)- Synonym
- N-(Phenylmethyl)-2-pyridinamine Synonym
- 2-(Benzylamino)pyridine Synonym
- N-Benzyl-2-pyridinamine Synonym
- N-Benzyl-2-aminopyridine Synonym
- NSC 59833 Synonym
- N-Benzylpyridine-2-amine Synonym
- Benzyl(2-pyridyl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 184.24 g/mol | CAS Common Chemistry |
| 184.24200000000002 g/mol | RDKit | |
| 184.242 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=CC1NCC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2/c1-2-6-11(7-3-1)10-14-12-8-4-5-9-13-12/h1-9H,10H2,(H,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=WYHXNQXDQQMTQI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 93-94 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | 2-(Benzylamino)pyridine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 24.92 Ų | RDKit |
| 24.39 Ų | chempirical lib | |
| LogP | 2.6937000000000006 | RDKit |
| 2.6937 | RDKit | |
| Molar Refractivity | 58.005700000000026 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0833 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 184.100048384 g/mol | RDKit |
| Boiling Point | 147-150 °C @ 2.5 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 184.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H12N2.
