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1-Amhn structure
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1-Amhn

TL;DR: 1-Amhn (CAS 111607-81-9) is a chemical compound with molecular formula C12H17N6O3+ and molecular weight 293.1362 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-5-nitroimidazol-3-ium-1-yl]ethanol

Also Known As: 1-Amhn, 1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitroimidazolium, Hexanoic acid, 4-hydroxy-, butyl ester, (S)-, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methyl-5-nitroimidazol-3-ium-1-yl]ethanol, 1-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-3-(2-hydroxyethyl)-2-methyl-4-nitro-1H-imidazolium

CAS Number
111607-81-9
Molecular Formula
C12H17N6O3+
Molecular Weight
293.1362 g/mol
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Technical Specifications

Molecular FormulaC12H17N6O3+
Molecular Weight293.1362 g/mol
XLogP-0.1
Topological Polar Surface Area (TPSA)127.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors6
Rotatable Bonds4
Exact Mass293.1362 Da
Heavy Atoms21
Complexity365.0
SMILESCC1=NC=C(C(=N1)N)C[N+]2=C(N(C(=C2)[N+](=O)[O-])CCO)C
InChIKeyOFTZXSNXKYDMIL-UHFFFAOYSA-N

Chemical Property Profile of 1-Amhn

XLogP
-0.1
TPSA (Topological Polar Surface Area)
127.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
Rotatable Bonds
4
Heavy Atoms
21
Complexity
365.0
Exact Mass
293.1362
Monoisotopic Mass
293.1362
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 1-Amhn

The XLogP value of -0.1 indicates that 1-Amhn is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amhn. Following Lipinski's Rule of Five, 1-Amhn has 2 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 1-Amhn?

The CAS number of 1-Amhn is 111607-81-9.

What is the molecular formula of 1-Amhn?

The molecular formula of 1-Amhn is C12H17N6O3+.

What is the molecular weight of 1-Amhn?

The molecular weight of 1-Amhn is 293.1362 g/mol.

Where can I buy 1-Amhn?

You can request a quote for 1-Amhn directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-Amhn?

Yes, CoreyChem provides custom synthesis services for 1-Amhn and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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