2-Methyl-1-vinylimidazole

Product Information

Molecular Formula:
C6H8 N2
Molecular Weight:
108.1411
Description
2-Methyl-1-vinylimidazole is a very versatile compound that facilitates the synthesis of drugs used to fight a range of diseases, including cancer, inflammation and infectious diseases.
Synonyms
2-methyl-1-vinyl-1H-imidazole; 2-Methyl-1-vinyl imidazole; 1-ethenyl-2-methylimidazole; 1-ethenyl-2-methyl-imidazole
IUPAC Name
1-ethenyl-2-methylimidazole
Canonical SMILES
CC1=NC=CN1C=C
InChI
InChI=1S/C6H8N2/c1-3-8-5-4-7-6(8)2/h3-5H,1H2,2H3
InChI Key
BDHGFCVQWMDIQX-UHFFFAOYSA-N
Boiling Point
94 °C/17 mmHg
Flash Point
86 °C
Purity
>97.0%(GC)
Density
0.94 g/cm3
Appearance
Colorless to Light yellow to Light orange clear liquid
Storage
<0°C
Refractive Index
1.53

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
108.068748264 g/mol
Monoisotopic Mass
108.068748264 g/mol
Topological Polar Surface Area
17.8Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
90.5
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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