Carbethoxyhexyl Imidazole

CAT: 0024-sc-205619Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-205619Size:10 mg

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CAS Number

68887-62-7

Chemical Information

Carbethoxyhexyl Imidazole

CAS Number	68887-62-7
PubChem CID	12870393
IUPAC Name	ethyl 7-imidazol-1-ylheptanoate
Molecular Formula	C12H20N2O2
Molecular Weight	224.30
XLogP	1.8
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Heavy Atom Count	16
Formal Charge	0
Complexity	197

SMILES

CCOC(=O)CCCCCCN1C=CN=C1

InChI

InChI=1S/C12H20N2O2/c1-2-16-12(15)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-11H,2-7,9H2,1H3

InChIKey

IGQBGUMGRVQYDB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68887-62-7

CID: 12870393

Formula: C12H20N2O2

MW: 224.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.30
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	224.152477885
Monoisotopic Mass	224.152477885
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	197
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
sc-204776A	Imidazole
sc-204776B	Imidazole
sc-204776	Imidazole
sc-235349	Imidazole-15N2
sc-250147A	Imidazole-d4
sc-488082	Imidazole-d3
sc-250147	Imidazole-d4
sc-250146	Imidazole hydrochloride
sc-253875B	1- (Trifluoromethanesulfonyl) imidazole
sc-487077	1- (Dimethylethylsilyl) imidazole

Catalog	Name
GB9580-2500g	Imidazole