Back to Search
2,6-Di-Tert-Butyl-4-Methylpyridine
CAS: 38222-83-2 | C14H23N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
38222-83-2
Molecular Formula:
C14H23N
Molecular Mass:
205.34 g/mol
Names and Synonyms:
2,6-Di-Tert-Butyl-4-Methylpyridine
Pyridine, 2,6-bis(1,1-dimethylethyl)-4-methyl-
4-Picoline, 2,6-di-tert-butyl-
2,6-Bis(1,1-dimethylethyl)-4-methylpyridine
2,6-Di-tert-butyl-4-methylpyridine
4-Methyl-2,6-di-tert-butylpyridine
2,6-Bis(tert-butyl)-4-methylpyridine
NSC 175792
DTBMP
2,6-Ditert-butyl-4-methylpyridine
Identifiers:
SMILES:
Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1
InChI:
InChI=1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3
Key Properties
Boiling Point
148-153 °C @ Press: 95 Torr
CAS Common Chemistry
Melting Point
31-32 °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 | 205.34 g/mol | CAS Common Chemistry |
| 205.345 g/mol | RDKit | |
| 205.183049736 g/mol | RDKit | |
| Boiling Point | 148-153 °C @ Press: 95 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C(=CC(=CC1C(C)(C)C)C)C(C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C14H23N/c1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7/h8-9H,1-7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVHZEKKZMFRULH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 31-32 °C | CAS Common Chemistry |
| Name | 2,6-Di-tert-butyl-4-methylpyridine | 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 | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 3.985020000000003 | RDKit |
| Molar Refractivity | 66.37400000000005 | RDKit |
