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N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide structure
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N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide

TL;DR: N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide (CAS 63958-44-1) is a chemical compound with molecular formula C9H12N4O5 and molecular weight 256.08078 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

N-(2-acetyloxyethyl)-1-(3-methyl-2-nitroimidazol-4-yl)methanimine oxide

Also Known As: N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide

CAS Number
63958-44-1
Molecular Formula
C9H12N4O5
Molecular Weight
256.08078 g/mol
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Technical Specifications

Molecular FormulaC9H12N4O5
Molecular Weight256.08078 g/mol
XLogP-0.7
Topological Polar Surface Area (TPSA)119.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors6
Rotatable Bonds5
Exact Mass256.08078 Da
Heavy Atoms18
Complexity353.0
SMILESCC(=O)OCC[N+](=CC1=CN=C(N1C)[N+](=O)[O-])[O-]
InChIKeyXVMSCXOCZHMJPY-UHFFFAOYSA-N

Chemical Property Profile of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide

XLogP
-0.7
TPSA (Topological Polar Surface Area)
119.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
6
Rotatable Bonds
5
Heavy Atoms
18
Complexity
353.0
Exact Mass
256.08078
Monoisotopic Mass
256.08078
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide

The XLogP value of -0.7 indicates that N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide. Following Lipinski's Rule of Five, N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide?

The CAS number of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is 63958-44-1.

What is the molecular formula of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide?

The molecular formula of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is C9H12N4O5.

What is the molecular weight of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide?

The molecular weight of N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide is 256.08078 g/mol.

Where can I buy N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide?

You can request a quote for N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide?

Yes, CoreyChem provides custom synthesis services for N-(2-Acetoxyethyl)-N-[(1-methyl-2-nitro-1H-imidazol-5-yl)methylene]amine oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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