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Compound Fr16610

CAT: 0931-Fr16610-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-Fr16610-02Size:1 g
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CAS Number
931-36-2
Bioactivity
Compound Fr16610, with CAS No. 931-36-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr16610 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
CCC1=NC=C(C)N1
Molecular Formula
C6H10N2
Molecular Weight
110.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Ethyl-4-methylimidazole

5K8XI641G3 is a member of imidazoles.

CAS Number931-36-2
PubChem CID70262
IUPAC Name2-ethyl-5-methyl-1H-imidazole
Molecular FormulaC6H10N2
Molecular Weight110.16
XLogP1.3
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
CCC1=NC=C(N1)C
InChI
InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
InChIKey
ULKLGIFJWFIQFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-4-methylimidazole
CAS: 931-36-2
CID: 70262
Formula: C6H10N2
MW: 110.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight110.16
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass110.084398327
Monoisotopic Mass110.084398327
Topological Polar Surface Area28.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.9
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

Related Products

CatalogName
Fr12610-01Compound Fr12610
Fr16630-01Compound Fr16630
Fr16690-01Compound Fr16690
Fr16660-01Compound Fr16660
Fr16620-01Compound Fr16620
Fr16613-01Compound Fr16613
Fr16614-01Compound Fr16614
Fr16615-01Compound Fr16615
Fr16616-01Compound Fr16616
Fr16611-01Compound Fr16611

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HY-14176-01Compound E
255023-01Compound 401
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2573-5Compound 112254
MBS3613444-01Compound W
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