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Home > Imidazoles > 6338-45-0
6338-45-0 | 1,4-DIMETHYLIMIDAZOLE
CAS No: 6338-45-0 Catalog No: AG00ECUR MDL No:MFCD02660800
Product Description
Catalog Number:
AG00ECUR
Chemical Name:
1,4-DIMETHYLIMIDAZOLE
CAS Number:
6338-45-0
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
MDL Number:
MFCD02660800
IUPAC Name:
1,4-dimethylimidazole
InChI:
InChI=1S/C5H8N2/c1-5-3-7(2)4-6-5/h3-4H,1-2H3
InChI Key:
BLHTXORQJNCSII-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1)C
UNII:
5NF7MPO9DZ
NSC Number:
40745
Properties
Complexity:
63.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| The photochemical rearrangement pathways of imidazoles: a theoretical study. | The journal of physical chemistry. A 20070308 |
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