Name: Name:1-N-BUTYL-2-METHYL-4-NITROIMIDAZOLE
Brand: Angene
SKU: AG003EK0
Rating: 90 (10 reviews)

1-N-BUTYL-2-METHYL-4-NITROIMIDAZOLE

CAS No.:

135009-57-3

Catalog Number:

AG003EK0

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

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Product Description

Catalog Number:

AG003EK0

Chemical Name:

1-N-BUTYL-2-METHYL-4-NITROIMIDAZOLE

CAS Number:

135009-57-3

Molecular Formula:

C8H13N3O2

Molecular Weight:

183.2077

MDL Number:

MFCD00173738

IUPAC Name:

1-butyl-2-methyl-4-nitroimidazole

InChI:

InChI=1S/C8H13N3O2/c1-3-4-5-10-6-8(11(12)13)9-7(10)2/h6H,3-5H2,1-2H3

InChI Key:

QZJVHLRSLFVNTO-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cn(c(n1)C)CCCC

Properties

Complexity:

181

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

183.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

183.211g/mol

Monoisotopic Mass:

183.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

63.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
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
Synthesis of N-alkylated derivatives of imidazole as antibacterial agents.	Bioorganic & medicinal chemistry letters 20030901