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9,9-Dimethyl-9,10-Dihydroacridine
CAS: 6267-02-3 | C15H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6267-02-3
Molecular Formula:
C15H15N
Molecular Mass:
209.29 g/mol
Names and Synonyms:
9,9-Dimethyl-9,10-Dihydroacridine
Acridine, 9,10-dihydro-9,9-dimethyl-
Acridan, 9,9-dimethyl-
9,10-Dihydro-9,9-dimethylacridine
9,9-Dimethyl-9,10-dihydroacridine
9,9-Dimethylacridan
NSC 36671
9,9-Dimethyl-10H-acridine
Antioxidant BLE
BLE (antioxidant)
BLE
Identifiers:
SMILES:
CC1(C)c2ccccc2Nc2ccccc21
InChI:
InChI=1S/C15H15N/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10,16H,1-2H3
Key Properties
Melting Point
120-126 °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 | 209.29 g/mol | CAS Common Chemistry |
| 209.29199999999997 g/mol | RDKit | |
| 209.12044948 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC2=C(C1)NC=3C=CC=CC3C2(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H15N/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10,16H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JSEQNGYLWKBMJI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120-126 °C | CAS Common Chemistry |
| Name | 9,9-Dimethyl-9,10-dihydroacridine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 4.069500000000002 | RDKit |
| Molar Refractivity | 68.29470000000003 | RDKit |
