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Nemazoline Hydrochloride structure
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Nemazoline Hydrochloride

TL;DR: Nemazoline Hydrochloride (CAS 111073-18-8) is a chemical compound with molecular formula C10H12Cl3N3 and molecular weight 279.00967 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;hydrochloride

Also Known As: Nemazoline HCl, NEMAZOLINE HYDROCHLORIDE, SCH 40054 HCl, Nemazoline hydrochloride [USAN], Nemazoline hydrochloride (USAN)

CAS Number
111073-18-8
Molecular Formula
C10H12Cl3N3
Molecular Weight
279.00967 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (3 patents) Pharmaceutical Intermediates (29 patents)

Technical Specifications

Molecular FormulaC10H12Cl3N3
Molecular Weight279.00967 g/mol
XLogP2.54
Topological Polar Surface Area (TPSA)50.4 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors2
Rotatable Bonds2
Exact Mass279.00967 Da
Heavy Atoms16
Complexity245.0
SMILESC1CN=C(N1)CC2=CC(=C(C(=C2)Cl)N)Cl.Cl
InChIKeyASIGTNNPGBMHLP-UHFFFAOYSA-N

Chemical Property Profile of Nemazoline Hydrochloride

XLogP
2.54
TPSA (Topological Polar Surface Area)
50.4
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
2
Rotatable Bonds
2
Heavy Atoms
16
Complexity
245.0
Exact Mass
279.00967
Monoisotopic Mass
279.00967
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 Nemazoline Hydrochloride

The XLogP value of 2.54 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nemazoline Hydrochloride. With a topological polar surface area (TPSA) of 50.4 Ų, Nemazoline Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nemazoline Hydrochloride has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Nemazoline Hydrochloride?

The CAS number of Nemazoline Hydrochloride is 111073-18-8.

What is the molecular formula of Nemazoline Hydrochloride?

The molecular formula of Nemazoline Hydrochloride is C10H12Cl3N3.

What is the molecular weight of Nemazoline Hydrochloride?

The molecular weight of Nemazoline Hydrochloride is 279.00967 g/mol.

Where can I buy Nemazoline Hydrochloride?

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

Does CoreyChem offer custom synthesis for Nemazoline Hydrochloride?

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

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