1-Octylbenzimidazole

CAT: 1552-KI-0045-HP-1000Size: 1 KgDry Ice: NoHazardous: No

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CAT#:1552-KI-0045-HP-1000Size:1 Kg

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CAS Number

42032-46-2

Product Name Alternative

KI 0045, 1 kg

Purity

>98%

Molecular Formula

C15H22N2

Molecular Weight

230,35

IUPAC Name

1-Octylbenzimidazole

Chemical Information

1-Octylbenzimidazole

CAS Number	42032-46-2
PubChem CID	1893437
IUPAC Name	1-octylbenzimidazole
Molecular Formula	C15H22N2
Molecular Weight	230.35
XLogP	4.8
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	205

SMILES

CCCCCCCCN1C=NC2=CC=CC=C21

InChI

InChI=1S/C15H22N2/c1-2-3-4-5-6-9-12-17-13-16-14-10-7-8-11-15(14)17/h7-8,10-11,13H,2-6,9,12H2,1H3

InChIKey

JSSQYTBESFITPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 42032-46-2

CID: 1893437

Formula: C15H22N2

MW: 230.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.35
XLogP3	4.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	230.178298710
Monoisotopic Mass	230.178298710
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	205
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
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