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1-Benzyl-2-Methylimidazole
CAS: 13750-62-4 | C11H12N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13750-62-4
Molecular Formula:
C11H12N2
Molecular Mass:
172.23 g/mol
Names and Synonyms:
1-Benzyl-2-Methylimidazole
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
Imidazole, 1-benzyl-2-methyl-
2-Methyl-1-(phenylmethyl)-1H-imidazole
1-Benzyl-2-methylimidazole
N-Benzyl-2-methylimidazole
Curezol 1B2MZ
1B2MZ
2-Methyl-N-benzylimidazole
Epicure BMI 12
1-Benzyl-2-methyl-1H-imidazole
JER Cure BMI 12
Texnol BEM 12
1-Phenylmethyl-2-methylimidazole
BMI 12
Identifiers:
SMILES:
Cc1nccn1Cc1ccccc1
InChI:
InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
Key Properties
Boiling Point
125-127 °C @ Press: 3 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 | 172.23 g/mol | CAS Common Chemistry |
| 172.23100000000002 g/mol | RDKit | |
| 172.100048384 g/mol | RDKit | |
| Boiling Point | 125-127 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | N=1C=CN(C1C)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FBHPRUXJQNWTEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Benzyl-2-methylimidazole | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 17.82 Ų | RDKit |
| LogP | 2.23982 | RDKit |
| Molar Refractivity | 52.50800000000003 | RDKit |
