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2-Amino-5,7-Dimethyl-1,8-Naphthyridine
CAS: 39565-07-6 | C10H11N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
39565-07-6
Molecular Formula:
C10H11N3
Molecular Mass:
173.22 g/mol
Names and Synonyms:
2-Amino-5,7-Dimethyl-1,8-Naphthyridine
1,8-Naphthyridin-2-amine, 5,7-dimethyl-
1,8-Naphthyridine, 7-amino-2,4-dimethyl-
5,7-Dimethyl-1,8-naphthyridin-2-amine
2-Amino-5,7-dimethyl-1,8-naphthyridine
7-Amino-2,4-dimethyl-1,8-naphthyridine
NSC 118392
2,4-Dimethyl-7-amino-1,8-naphthyridine
Identifiers:
SMILES:
Cc1cc(C)c2ccc(=N)[nH]c2n1
InChI:
InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13)
Key Properties
Melting Point
215 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 173.22 g/mol | CAS Common Chemistry |
| 173.219 g/mol | RDKit | |
| 173.095297352 g/mol | RDKit | |
| Canonical SMILES | N=1C2=NC(=CC(=C2C=CC1N)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H11N3/c1-6-5-7(2)12-10-8(6)3-4-9(11)13-10/h3-5H,1-2H3,(H2,11,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=BOSVHBKQNJZNHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 215 °C | CAS Common Chemistry |
| Name | 2-Amino-5,7-dimethyl-1,8-naphthyridine | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.6592099999999996 | RDKit |
| Molar Refractivity | 51.422400000000025 | RDKit |
