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1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride structure
Fine Chemical

1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride

TL;DR: 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride (CAS 70275-59-1) is a chemical compound with molecular formula C8H16ClN and molecular weight 161.09712 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-methyl-1-azoniabicyclo[2.2.2]octane chloride

Also Known As: N-methylquinuclidinium chloride, 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride, 1-Azoniabicyclo[2.2.2]octane, 1-methyl-, chloride, 1-methyl-1-azoniabicyclo[2.2.2]octane chloride, 1-methyl-1-azoniabicyclo[2.2.2]octane,chloride

CAS Number
70275-59-1
Molecular Formula
C8H16ClN
Molecular Weight
161.09712 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 (2 patents) Pharmaceutical Intermediates (4 patents)

Technical Specifications

Molecular FormulaC8H16ClN
Molecular Weight161.09712 g/mol
XLogP-1.7493
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors1
Rotatable Bonds0
Exact Mass161.09712 Da
Heavy Atoms10
Complexity98.0
SMILESC[N+]12CCC(CC1)CC2.[Cl-]
InChIKeyLRHDJALRZVHQFM-UHFFFAOYSA-M

Chemical Property Profile of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride

XLogP
-1.7493
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
Rotatable Bonds
0
Heavy Atoms
10
Complexity
98.0
Exact Mass
161.09712
Monoisotopic Mass
161.09712
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-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride

The XLogP value of -1.7493 indicates that 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride has 0 hydrogen bond donor(s) and 1 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-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride?

The CAS number of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride is 70275-59-1.

What is the molecular formula of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride?

The molecular formula of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride is C8H16ClN.

What is the molecular weight of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride?

The molecular weight of 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride is 161.09712 g/mol.

Where can I buy 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride?

You can request a quote for 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride?

Yes, CoreyChem provides custom synthesis services for 1-Azoniabicyclo(2.2.2)octane, 1-methyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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