1-Carbethoxyimidazole

CAT: 0127-OR950410-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR950410-01Size:5 g

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CAS Number

19213-72-0

MDL Number

MFCD00014498

Purity

97%

Smiles

CCOC(=O)n1ccnc1

Chemical Information

Ethyl 1H-imidazole-1-carboxylate

CAS Number	19213-72-0
PubChem CID	87963
IUPAC Name	ethyl imidazole-1-carboxylate
Molecular Formula	C6H8N2O2
Molecular Weight	140.14
XLogP	0.4
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	127

SMILES

CCOC(=O)N1C=CN=C1

InChI

InChI=1S/C6H8N2O2/c1-2-10-6(9)8-4-3-7-5-8/h3-5H,2H2,1H3

InChIKey

YICRPEGTQDSFEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19213-72-0

CID: 87963

Formula: C6H8N2O2

MW: 140.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	140.14
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	140.058577502
Monoisotopic Mass	140.058577502
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	127
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
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
OR16079-01	1,1,1-Trichloroacetone
PC01657-01	1,1,1-Trifluorohexane

Catalog	Name
UAA21372-01	1-Carbethoxyimidazole
TRC-C176110-1G	4-Carbethoxyimidazole
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
GTR19217879-01	AMPK-α1β1γ1 activator 1