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2-Amino-3-Benzyloxypyridine
CAS: 24016-03-3 | C12H12N2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
24016-03-3
Molecular Formula:
C12H12N2O
Molecular Mass:
200.24 g/mol
Names and Synonyms:
2-Amino-3-Benzyloxypyridine
2-Pyridinamine, 3-(phenylmethoxy)-
Pyridine, 2-amino-3-(benzyloxy)-
3-(Phenylmethoxy)-2-pyridinamine
2-Amino-3-benzyloxypyridine
3-Benzyloxy-2-aminopyridine
[(3-(Benzyloxy)pyridin-2-yl])amine
3-Benzyloxypyridin-2-amine
NSC 298538
2-Amino-3-(benzoxy)pyridine
Identifiers:
SMILES:
Nc1ncccc1OCc1ccccc1
InChI:
InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14)
Key Properties
Melting Point
89-91 °C @ Solvent: Ethanol
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 | 200.24 g/mol | CAS Common Chemistry |
| 200.241 g/mol | RDKit | |
| 200.094963004 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=C(OCC=2C=CC=CC2)C1N | CAS Common Chemistry |
| InChI | InChI=1S/C12H12N2O/c13-12-11(7-4-8-14-12)15-9-10-5-2-1-3-6-10/h1-8H,9H2,(H2,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=NMCBWICNRJLKKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 89-91 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | 2-Amino-3-benzyloxypyridine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 48.14 Ų | RDKit |
| LogP | 2.2428 | RDKit |
| Molar Refractivity | 59.42340000000002 | RDKit |
