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1,2-Dimethylimidazole

CAS: 1739-84-0 | C5H8N2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 1739-84-0
Molecular Formula: C5H8N2
Molecular Weight: 96.133 g/mol

Names and Synonyms:

1,2-Dimethylimidazole
1H-Imidazole, 1,2-dimethyl-
Imidazole, 1,2-dimethyl-
1,2-Dimethyl-1H-imidazole
1,2-Dimethylimidazole
N,2-Dimethylimidazole
PC CAT DMI
Toyocat DP 70
SN 25
SN 25 (vulcanizing agent)
Curezol 1,2DMZ
NSC 111174
Toyocat DMI
Toyocat DM 70
1,2DMZ
Nichigo Imidazole 1,2-DMI
Curezol 12DMZ
Lupragen DMI
Dabco 2040
Dabco 2039
Dabco 2041
Kaolizer 390

Identifiers:

SMILES:
Cc1nccn1C
InChI:
InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 96.133 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 96.06874825599999 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 7 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 17.82 Ų RDKit

Physical Properties

Property Value Source
LogP 0.72852 RDKit
molecular_mass 96.13 g/mol Legacy Database
cas-boiling-point 206 °C None Legacy Database
cas-canonical-smile N=1C=CN(C1C)C None Legacy Database
cas-inchi InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3 None Legacy Database
cas-inchi-key InChIKey=GIWQSPITLQVMSG-UHFFFAOYSA-N None Legacy Database
cas-melting-point 39-41 °C None Legacy Database
cas-name 1,2-Dimethylimidazole None Legacy Database

Molar

Property Value Source
Molar Refractivity 27.944999999999986 RDKit

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