1-Octylimidazole

CAT: 1552-KI-0006-HP-5000Size: 5 KgDry Ice: NoHazardous: No

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CAT#:1552-KI-0006-HP-5000Size:5 Kg

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CAS Number

21252-69-7

Product Name Alternative

KI 0006, 5 kg

Purity

>98%

Molecular Formula

C11H20N2

Molecular Weight

180.29

IUPAC Name

1-Octylimidazole

Chemical Information

N-octyl imidazole

CAS Number	21252-69-7
PubChem CID	161351
IUPAC Name	1-octylimidazole
Molecular Formula	C11H20N2
Molecular Weight	180.29
XLogP	3.4
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	13
Formal Charge	0
Complexity	115

SMILES

CCCCCCCCN1C=CN=C1

InChI

InChI=1S/C11H20N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h8,10-11H,2-7,9H2,1H3

InChIKey

KLMZKZJCMDOKFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21252-69-7

CID: 161351

Formula: C11H20N2

MW: 180.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.29
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	180.162648646
Monoisotopic Mass	180.162648646
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	115
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
KI-0012-HP-0250	1-Methyl-2-octylimidazole
KI-0012-HP-0100	1-Methyl-2-octylimidazole
KI-0012-HP-0050	1-Methyl-2-octylimidazole
KI-0012-HP-0025	1-Methyl-2-octylimidazole
KI-0012-HP-BULK	1-Methyl-2-octylimidazole
KI-0012-HP-0500	1-Methyl-2-octylimidazole
KI-0012-HP-5000	1-Methyl-2-octylimidazole
KI-0012-HP-2500	1-Methyl-2-octylimidazole
KI-0012-HP-1000	1-Methyl-2-octylimidazole
IL-0145-HP-0250	1-Methyl-1-propylpyrrolidinium bromide

Catalog	Name
sc-251530	1-Octylimidazole
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
OR312388	1-Phenylbicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1