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33529-01-0 | 1-Hexyl-1H-imidazole
CAS No: 33529-01-0 Catalog No: AG003EE3 MDL No:MFCD07636719
Product Description
Catalog Number:
AG003EE3
Chemical Name:
1-Hexyl-1H-imidazole
CAS Number:
33529-01-0
Molecular Formula:
C9H16N2
Molecular Weight:
152.2367
MDL Number:
MFCD07636719
IUPAC Name:
1-hexylimidazole
InChI:
InChI=1S/C9H16N2/c1-2-3-4-5-7-11-8-6-10-9-11/h6,8-9H,2-5,7H2,1H3
InChI Key:
KGWVFQAPOGAVRF-UHFFFAOYSA-N
SMILES:
CCCCCCn1cncc1
Properties
Complexity:
93.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.241g/mol
Monoisotopic Mass:
152.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Synthesis of N-alkylated derivatives of imidazole as antibacterial agents. | Bioorganic & medicinal chemistry letters 20030901 |
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