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2-Ethyl-1H-imidazole

CAT: 0931-TN9611-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9611-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1072-62-4
Target
Others
Related Pathways
Others
Purity
0.9958
Bioactivity
2-Ethyl-1H-imidazole is an imidazole derivative widely used in biochemical experiments and drug synthesis research.
Smiles
N=1C=CNC1CC
Molecular Formula
C5H8N2
Molecular Weight
96.13
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Ethylimidazole

structure in first source

CAS Number1072-62-4
PubChem CID66130
IUPAC Name2-ethyl-1H-imidazole
Molecular FormulaC5H8N2
Molecular Weight96.13
XLogP0.9
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity54
SMILES
CCC1=NC=CN1
InChI
InChI=1S/C5H8N2/c1-2-5-6-3-4-7-5/h3-4H,2H2,1H3,(H,6,7)
InChIKey
PQAMFDRRWURCFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylimidazole
CAS: 1072-62-4
CID: 66130
Formula: C5H8N2
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass96.068748264
Monoisotopic Mass96.068748264
Topological Polar Surface Area28.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity54
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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