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1,2-Dimethylimidazole

CAT: 0572-TRC-D460493-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460493-500MGSize:500 mg
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CAS Number
1739-84-0
Hazard Statement
Harmful if swallowed
Purity
>95% (GC)
Smiles
Cc1nccn1C
Molecular Formula
C5H8N2
Molecular Weight
96.13
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2-Dimethylimidazole

1,2-dimethylimidazole is a member of imidazoles.

CAS Number1739-84-0
PubChem CID15617
IUPAC Name1,2-dimethylimidazole
Molecular FormulaC5H8N2
Molecular Weight96.13
XLogP0.4
Topological Polar Surface Area17.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity63
SMILES
CC1=NC=CN1C
InChI
InChI=1S/C5H8N2/c1-5-6-3-4-7(5)2/h3-4H,1-2H3
InChIKey
GIWQSPITLQVMSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dimethylimidazole
CAS: 1739-84-0
CID: 15617
Formula: C5H8N2
MW: 96.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight96.13
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass96.068748264
Monoisotopic Mass96.068748264
Topological Polar Surface Area17.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity63.1
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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