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1,7-Naphthyridin-8-Amine
CAS: 17965-82-1 | C8H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17965-82-1
Molecular Formula:
C8H7N3
Molecular Weight:
145.16499999999996 g/mol
Names and Synonyms:
1,7-Naphthyridin-8-Amine
1,7-Naphthyridin-8-amine
1,7-Naphthyridine, 8-amino-
8-Amino-1,7-naphthyridine
Identifiers:
SMILES:
N=c1[nH]ccc2cccnc12
InChI:
InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 145.16499999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 145.063997224 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 11 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 52.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.04237 | RDKit |
| molecular_mass | 145.17 g/mol | Legacy Database |
| cas-canonical-smile | N=1C=CC=2C=CC=NC2C1N None | Legacy Database |
| cas-inchi | InChI=1S/C8H7N3/c9-8-7-6(3-5-11-8)2-1-4-10-7/h1-5H,(H2,9,11) None | Legacy Database |
| cas-inchi-key | InChIKey=LRKLTZGZHDEBME-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 168-169 °C None | Legacy Database |
| cas-name | 1,7-Naphthyridin-8-amine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.94840000000001 | RDKit |
