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Molecule
9,9-Dimethyl-9,10-Dihydroacridine
CAS: 6267-02-3 · C15H15N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6267-02-3
- Molecular Formula
- C15H15N
- Molecular Mass
- 209.29 g/mol
Identifiers
CAS Registry Number
6267-02-3
SMILES
CC1(C)c2ccccc2Nc2ccccc21
InChI Key
JSEQNGYLWKBMJI-UHFFFAOYSA-N
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
Names and Synonyms
- 9,9-Dimethyl-9,10-Dihydroacridine Synonym
- Acridine, 9,10-dihydro-9,9-dimethyl- Synonym
- Acridan, 9,9-dimethyl- Synonym
- 9,10-Dihydro-9,9-dimethylacridine Synonym
- 9,9-Dimethyl-9,10-dihydroacridine Synonym
- 9,9-Dimethylacridan Synonym
- NSC 36671 Synonym
- 9,9-Dimethyl-10H-acridine Synonym
- Antioxidant BLE Synonym
- BLE (antioxidant) Synonym
- BLE Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 209.29 g/mol | CAS Common Chemistry |
| 209.29199999999997 g/mol | RDKit | |
| 209.292 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 |
| 4.0695 | RDKit | |
| Molar Refractivity | 68.29470000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 209.12044948 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 209.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H15N.
