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Home Carboxys Methyl 1-benzylimidazole-5-carboxylate

Methyl 1-benzylimidazole-5-carboxylate

CAS No.:
73941-33-0
Catalog Number:
AG008PL4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$117
- +
1g
97%
In Stock USA
United States
$291
- +
5g
97%
In Stock USA
United States
$875
- +
Product Description
Catalog Number:
AG008PL4
Chemical Name:
Methyl 1-benzylimidazole-5-carboxylate
CAS Number:
73941-33-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD01721696
IUPAC Name:
methyl 3-benzylimidazole-4-carboxylate
InChI:
InChI=1S/C12H12N2O2/c1-16-12(15)11-7-13-9-14(11)8-10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChI Key:
DOTNQIPIURWNFJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncn1Cc1ccccc1
EC Number:
277-646-7
UNII:
66RO5I0EOG
NSC Number:
91543
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Structure-activity relationship of etomidate derivatives at the GABA(A) receptor: Comparison with binding to 11beta-hydroxylase. Bioorganic & medicinal chemistry letters 20090801
New selective inhibitors of steroid 11beta-hydroxylation in the adrenal cortex. Synthesis and structure-activity relationship of potent etomidate analogues. Journal of medicinal chemistry 20080410
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties