1-n-Butyl-3-methylimidazolium bromide

Name: 1-n-Butyl-3-methylimidazolium bromide
Brand: CoreyChem
SKU: CAS:85100-77-2
Availability: PreOrder

TL;DR: 1-n-Butyl-3-methylimidazolium bromide (CAS 85100-77-2) is a chemical compound with molecular formula C8H15BrN2 and molecular weight 218.04185 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

1-butyl-3-methylimidazol-3-ium bromide

Also Known As: 1-Butyl-3-methylimidazolium bromide, BMIMBr, 3-Butyl-1-methyl-1H-imidazol-3-ium bromide, [bmim]br, 1-n-butyl-3-methylimidazolium bromide

CAS Number

85100-77-2

Molecular Formula

C8H15BrN2

Molecular Weight

218.04185 g/mol

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Technical Specifications

Molecular Formula	C8H15BrN2
Molecular Weight	218.04185 g/mol
XLogP	-1.8833
Topological Polar Surface Area (TPSA)	6.5 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	2
Rotatable Bonds	3
Exact Mass	220.05751 Da
Heavy Atoms	11
Complexity	120.0
SMILES	CCCCN1C=C[N+](=C1)C.[Br-]
InChIKey	KYCQOKLOSUBEJK-UHFFFAOYSA-M

Chemical Property Profile of 1-n-Butyl-3-methylimidazolium bromide

XLogP

-1.8833

TPSA (Topological Polar Surface Area)

6.5

Hydrogen Bond Donors

Hydrogen Bond Acceptors

Rotatable Bonds

Heavy Atoms

Complexity

120.0

Exact Mass

220.05751

Monoisotopic Mass

218.04185

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-n-Butyl-3-methylimidazolium bromide

The XLogP value of -1.8833 indicates that 1-n-Butyl-3-methylimidazolium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.5 Å², 1-n-Butyl-3-methylimidazolium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-n-Butyl-3-methylimidazolium bromide has 1 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 1-n-Butyl-3-methylimidazolium bromide?

The CAS number of 1-n-Butyl-3-methylimidazolium bromide is 85100-77-2.

What is the molecular formula of 1-n-Butyl-3-methylimidazolium bromide?

The molecular formula of 1-n-Butyl-3-methylimidazolium bromide is C8H15BrN2.

What is the molecular weight of 1-n-Butyl-3-methylimidazolium bromide?

The molecular weight of 1-n-Butyl-3-methylimidazolium bromide is 218.04185 g/mol.

Where can I buy 1-n-Butyl-3-methylimidazolium bromide?

You can request a quote for 1-n-Butyl-3-methylimidazolium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 1-n-Butyl-3-methylimidazolium bromide?

Yes, CoreyChem provides custom synthesis services for 1-n-Butyl-3-methylimidazolium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

2026-06-19 07:20:16.804622