4-methylimidazole

• CAS: 822-36-6
• Catalog Number: ACM822366
• Category: Imidazoles
• Molecular Weight: 82.10
• Molecular Formula: C4H6N2
• Boiling Point: 263 °C
• Melting Point: 44-47 °C
• Density: 1.02 g/cm³
• Appearance: light yellow solid

Custom Q&A

What is the molecular formula of 4-methylimidazole?

The molecular formula of 4-methylimidazole is C4H6N2.

What is the molecular weight of 4-methylimidazole?

The molecular weight of 4-methylimidazole is 82.10 g/mol.

What are some synonyms for 4-methylimidazole?

Some synonyms for 4-methylimidazole include 4-Methyl-1H-imidazole and 5-Methyl-1H-imidazole.

What is the IUPAC name of 4-methylimidazole?

The IUPAC name of 4-methylimidazole is 5-methyl-1H-imidazole.

What is the InChIKey for 4-methylimidazole?

The InChIKey for 4-methylimidazole is XLSZMDLNRCVEIJ-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 4-methylimidazole?

The Canonical SMILES representation of 4-methylimidazole is CC1=CN=CN1.

What is the CAS number for 4-methylimidazole?

The CAS number for 4-methylimidazole is 822-36-6.

What is the XLogP3 value of 4-methylimidazole?

The XLogP3 value of 4-methylimidazole is 0.2.

How many hydrogen bond donor counts does 4-methylimidazole have?

4-methylimidazole has 1 hydrogen bond donor count.

What is the topological polar surface area of 4-methylimidazole?

The topological polar surface area of 4-methylimidazole is 28.7 Ų.

Synthetic Use

Upstream Synthesis Route 1

• 6014-42-2

• 822-36-6
• 930-62-1

Reference: [1] Chemische Berichte, 1907, vol. 40, p. 801

Upstream Synthesis Route 2

• 609-06-3

• 822-36-6

Reference: [1]Patent: DE183588,

Upstream Synthesis Route 3

• 63-42-3

• 822-36-6

Reference: [1]Patent: DE183588,

Downstream Synthesis Route 1

• 822-36-6

• 219814-29-6

Reference: [1] Patent: WO2015/26792, 2015, A1, . Location in patent: Paragraph 0229

Downstream Synthesis Route 2

• 822-36-6

• 14003-66-8

Reference: [1] Journal of Medicinal Chemistry, 2003, vol. 46, # 3, p. 427 - 440
[2] Chemische Berichte, 1909, vol. 42, p. 761
[3] Journal of the Chemical Society, 1942, p. 232,233
[4] Patent: US4678799, 1987, A,

Downstream Synthesis Route 3

• 822-36-6

• 14003-66-8

Reference: [1]Journal of Medicinal Chemistry,2003,vol. 46,p. 427 - 440
[2]Chemische Berichte,1909,vol. 42,p. 761
[3]Journal of the Chemical Society,1942,p. 232,233
[4]Patent: US4678799,1987,A

* For details of the synthesis route, please refer to the original source to ensure accuracy.