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Molecule
9-Aminoacridine
CAS: 90-45-9 · C13H10N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 90-45-9
- Molecular Formula
- C13H10N2
- Molecular Mass
- 194.24 g/mol
Identifiers
CAS Registry Number
90-45-9
SMILES
N=c1c2ccccc2[nH]c2ccccc12
InChI Key
XJGFWWJLMVZSIG-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15)
Names and Synonyms
- 9-Aminoacridine Synonym
- 9-Acridinamine Synonym
- Acridine, 9-amino- Synonym
- 9AA Synonym
- Aminacrine Synonym
- 9-Aminoacridine Synonym
- Monacrin Synonym
- 10-Amino-5-azaanthracene Synonym
- Aminacrin Synonym
- Izoacridina Synonym
- NSC 13000 Synonym
- NSC 28747 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 194.24 g/mol | CAS Common Chemistry |
| 194.237 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/9-Aminoacridine | CAS Common Chemistry |
| Canonical SMILES | N=1C=2C=CC=CC2C(N)=C3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C13H10N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H2,14,15) | CAS Common Chemistry |
| InChI Key | InChIKey=XJGFWWJLMVZSIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 241 °C | CAS Common Chemistry |
| Name | 9-Aminoacridine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 39.64 Ų | RDKit |
| LogP | 2.8005700000000004 | RDKit |
| 2.8006 | RDKit | |
| Molar Refractivity | 61.65940000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 194.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 194.24 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C13H10N2.
