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36947-68-9 | 2-Isopropyl-1H-imidazole
CAS No: 36947-68-9 Catalog No: AG003B8N MDL No:MFCD00014486
Product Description
Catalog Number:
AG003B8N
Chemical Name:
2-Isopropyl-1H-imidazole
CAS Number:
36947-68-9
Molecular Formula:
C6H10N2
Molecular Weight:
110.1570
MDL Number:
MFCD00014486
IUPAC Name:
2-propan-2-yl-1H-imidazole
InChI:
InChI=1S/C6H10N2/c1-5(2)6-7-3-4-8-6/h3-5H,1-2H3,(H,7,8)
InChI Key:
FUOZJYASZOSONT-UHFFFAOYSA-N
SMILES:
CC(c1ncc[nH]1)C
EC Number:
253-286-6
UNII:
A92TUY97G2
Properties
Complexity:
70.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.084g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
110.16g/mol
Monoisotopic Mass:
110.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Self-assembly of the oxy-tyrosinase core and the fundamental components of phenolic hydroxylation. | Nature chemistry 20120304 |
| Bromidotetra-kis-(2-isopropyl-1H-imidazole-κN)copper(II) bromide. | Acta crystallographica. Section E, Structure reports online 20111001 |
| N-heterocyclic carbene ligands as mimics of imidazoles/histidine for the stabilization of di- and trinitrosyl iron complexes. | Inorganic chemistry 20110905 |
| Thermodynamic and multinuclear magnetic resonance study of dimethyltin (IV) complexes with some imidazoles in aqueous solutions. | Annali di chimica 20010101 |
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