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9-Methylacridine
CAS: 611-64-3 | C14H11N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
611-64-3
Molecular Formula:
C14H11N
Molecular Mass:
193.25 g/mol
Names and Synonyms:
9-Methylacridine
Acridine, 9-methyl-
9-Methylacridine
NSC 1234
Identifiers:
SMILES:
Cc1c2ccccc2nc2ccccc12
InChI:
InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3
Key Properties
Melting Point
117-118 °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 | 193.25 g/mol | CAS Common Chemistry |
| 193.249 g/mol | RDKit | |
| 193.089149352 g/mol | RDKit | |
| Canonical SMILES | N=1C=2C=CC=CC2C(=C3C=CC=CC13)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H11N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2-9H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FLDRLXJNISEWNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117-118 °C | CAS Common Chemistry |
| Name | 9-Methylacridine | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 3.6964200000000016 | RDKit |
| Molar Refractivity | 63.98600000000003 | RDKit |
