2-Octyl-1H-imidazole

CAT: 0127-OR1046348-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1046348-01Size:100 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

33214-20-9

Purity

95%

Smiles

CCCCCCCCC1=NC=CN1

Chemical Information

2-Octyl-1H-imidazole

CAS Number	33214-20-9
PubChem CID	18347297
IUPAC Name	2-octyl-1H-imidazole
Molecular Formula	C11H20N2
Molecular Weight	180.29
XLogP	4
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Heavy Atom Count	13
Formal Charge	0
Complexity	115

SMILES

CCCCCCCCC1=NC=CN1

InChI

InChI=1S/C11H20N2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h9-10H,2-8H2,1H3,(H,12,13)

InChIKey

MMDFSEGJGPURPF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33214-20-9

CID: 18347297

Formula: C11H20N2

MW: 180.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.29
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	7
Exact Mass	180.162648646
Monoisotopic Mass	180.162648646
Topological Polar Surface Area	28.7 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
TN8930-01	2-Octyl-4 (1H) -quinolone
GBA72249	1H-Imidazole-2-carbonitrile
CBA09898-01	2-Methanesulfonyl-1H-imidazole
HY-W007321-01	1H-Imidazole-2-carbaldehyde
TN9480	2-Isopropyl-1H-imidazole
262005-01	2-Bromo-1H-imidazole
LCA98528-01	2-Cyclohexanecarbonyl-1H-imidazole
AKB24489-01	1H-Imidazole-2-sulfonamide
RCA67522	2- (Trifluoromethyl) -1H-imidazole
PDA94300-01	2-cyclobutyl-1h-imidazole