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2-Methyltetrahydroquinoline
CAS: 1780-19-4 | C10H13N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1780-19-4
Molecular Formula:
C10H13N
Molecular Mass:
147.22 g/mol
Names and Synonyms:
2-Methyltetrahydroquinoline
Quinoline, 1,2,3,4-tetrahydro-2-methyl-
Quinaldine, 1,2,3,4-tetrahydro-
1,2,3,4-Tetrahydro-2-methylquinoline
2-Methyl-1,2,3,4-tetrahydroquinoline
1,2,3,4-Tetrahydroquinaldine
NSC 65607
Identifiers:
SMILES:
CC1CCc2ccccc2N1
InChI:
InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3
Key Properties
Boiling Point
125 °C @ Press: 17 Torr
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 | 147.22 g/mol | CAS Common Chemistry |
| 147.22099999999998 g/mol | RDKit | |
| 147.104799416 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2-Methyltetrahydroquinoline | CAS Common Chemistry |
| Boiling Point | 125 °C @ Press: 17 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)NC(C)CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5,8,11H,6-7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JZICUKPOZUKZLL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Methyl-1,2,3,4-tetrahydroquinoline | CAS Common Chemistry |
| 2-Methyltetrahydroquinoline | CAS Common Chemistry | |
| Heavy Atom Count | 11 | 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 | 2.4332000000000003 | RDKit |
| Molar Refractivity | 47.84770000000003 | RDKit |
