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Molecule
1,7-Naphthyridin-8-Amine
CAS: 17965-82-1 · C8H7N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 17965-82-1
- Molecular Formula
- C8H7N3
- Molecular Mass
- 145.17 g/mol
Identifiers
CAS Registry Number
17965-82-1
SMILES
N=c1[nH]ccc2cccnc12
InChI Key
LRKLTZGZHDEBME-UHFFFAOYSA-N
InChI
InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)
Names and Synonyms
- 1,7-Naphthyridin-8-Amine Synonym
- 1,7-Naphthyridin-8-amine Synonym
- 1,7-Naphthyridine, 8-amino- Synonym
- 8-Amino-1,7-naphthyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 145.17 g/mol | CAS Common Chemistry |
| 145.16499999999996 g/mol | RDKit | |
| 145.165 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=2C=CC=NC2C1N | CAS Common Chemistry |
| InChI | InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11) | CAS Common Chemistry |
| InChI Key | InChIKey=LRKLTZGZHDEBME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168-169 °C | CAS Common Chemistry |
| Name | 1,7-Naphthyridin-8-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 52.53 Ų | RDKit |
| LogP | 1.04237 | RDKit |
| 1.0424 | RDKit | |
| Molar Refractivity | 41.94840000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 145.063997224 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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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 = 145.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H7N3.
