IMidazal-1-yl-acetonitrile

• CAS: 98873-55-3
• Catalog Number: ACM98873553
• Category: Imidazoles
• Molecular Weight: 107.11
• Molecular Formula: C5H5N3
• Melting Point: 48-51°C
• Appearance: Light Brown Solid

Custom Q&A

What is the molecular formula of IMidazal-1-yl-acetonitrile?

The molecular formula of IMidazal-1-yl-acetonitrile is C5H5N3.

What is the molecular weight of IMidazal-1-yl-acetonitrile?

The molecular weight of IMidazal-1-yl-acetonitrile is 107.11 g/mol.

What is the IUPAC name of IMidazal-1-yl-acetonitrile?

The IUPAC name of IMidazal-1-yl-acetonitrile is 2-imidazol-1-ylacetonitrile.

What is the InChIKey of IMidazal-1-yl-acetonitrile?

The InChIKey of IMidazal-1-yl-acetonitrile is ZPGCVVBPGQJSPX-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does IMidazal-1-yl-acetonitrile have?

IMidazal-1-yl-acetonitrile has 2 hydrogen bond acceptor count.

What is the molecular weight computed by PubChem for IMidazal-1-yl-acetonitrile?

The molecular weight computed by PubChem for IMidazal-1-yl-acetonitrile is 107.11 g/mol.

Is the compound canonicalized according to PubChem?

Yes, the compound is canonicalized according to PubChem.

What is the topological polar surface area of IMidazal-1-yl-acetonitrile?

The topological polar surface area of IMidazal-1-yl-acetonitrile is 41.6 Ų.

How many rotatable bond count does IMidazal-1-yl-acetonitrile have?

IMidazal-1-yl-acetonitrile has 1 rotatable bond count.

What is the formal charge of IMidazal-1-yl-acetonitrile?

The formal charge of IMidazal-1-yl-acetonitrile is 0.

Synthetic Use

Upstream Synthesis Route 1

• 288-32-4
• 590-17-0

• 98873-55-3

Reference: [1] Bioorganic and Medicinal Chemistry, 2006, vol. 14, # 9, p. 3185 - 3198
[2] European Journal of Organic Chemistry, 2018, vol. 2018, # 18, p. 2110 - 2116
[3] New Journal of Chemistry, 2002, vol. 26, # 7, p. 926 - 932
[4] Patent: US2015/65522, 2015, A1, . Location in patent: Paragraph 0469; 0470; 0471
[5] Bioorganic and Medicinal Chemistry, 2018, vol. 26, # 8, p. 2009 - 2016

Upstream Synthesis Route 2

• 288-32-4
• 107-14-2

• 98873-55-3

Reference: [1] Tetrahedron, 1996, vol. 52, # 48, p. 15171 - 15188
[2] Patent: US5565479, 1996, A,
[3] Patent: WO2016/92478, 2016, A1, . Location in patent: Paragraph 0124

Upstream Synthesis Route 3

• 288-32-4
• 75-05-8

• 98873-55-3

Reference: [1] RSC Advances, 2015, vol. 5, # 26, p. 20562 - 20565

Upstream Synthesis Route 4

• 288-32-4
• 107-14-2

• 98873-55-3

Reference: [1]Tetrahedron,1996,vol. 52,p. 15171 - 15188
[2]Patent: US5565479,1996,A
[3]Patent: WO2016/92478,2016,A1 .Location in patent: Paragraph 0124