Back to Search
2,2,4-Trimethyl-1,2-Dihydroquinoline
CAS: 147-47-7 | C12H15N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
147-47-7
Molecular Formula:
C12H15N
Molecular Mass:
173.26 g/mol
Names and Synonyms:
2,2,4-Trimethyl-1,2-Dihydroquinoline
Quinoline, 1,2-dihydro-2,2,4-trimethyl-
2,2,4-Trimethyl-1,2-dihydroquinone
Polnox R
Good-rite 3140
Hydroquin
NSC 4175
1,2-Dihydro-2,2,4-trimethylquinolene
Antioxidant FR-SB
Antioxidant DQ
2,2,4-Trimethyl-1H-quinoline
ASM-TMQ
1,2-Dihydro-2,2,4-trimethylquinoline
2,2,4-Trimethyl-1,2-dihydroquinoline
Acetone anil (quinoline derivative)
Acetone anil
Identifiers:
SMILES:
CC1=CC(C)(C)Nc2ccccc21
InChI:
InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
Key Properties
Boiling Point
260 °C
CAS Common Chemistry
Melting Point
120 °C
CAS Common Chemistry
Density
1.08 g/cm³
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 | 173.26 g/mol | CAS Common Chemistry |
| 173.25900000000001 g/mol | RDKit | |
| 173.12044948 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.08 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 260 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)NC(C=C2C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZNRLMGFXSPUZNR-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | 2,2,4-Trimethyl-1,2-dihydroquinoline | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.2940000000000014 | RDKit |
| Molar Refractivity | 57.794700000000034 | RDKit |
