4-(2-methyl-1H-imidazol-1-yl)butanoic acid

Base Information

• Chemical Name: 4-(2-methyl-1H-imidazol-1-yl)butanoic acid
• CAS No.: 110525-54-7
• Molecular Formula: C8H12 N2 O2
• Molecular Weight: 168.19
• Hs Code.: 2933290090
• DSSTox Substance ID: DTXSID30149279
• Mol file: 110525-54-7.mol

Synonyms:4-(2-methyl-1H-imidazol-1-yl)butanoic acid;110525-54-7;4-(2-methylimidazol-1-yl)butanoic acid;4-(2-Methyl-imidazol-1-yl)-butyric acid;Imidazole-1-butyric acid, 2-methyl-;1H-Imidazole-1-butanoic acid, 2-methyl-;2-Methylimidazole-1-butyric acid;EC-000.1982;DTXSID30149279;BBL011280;MFCD01721737;STK940683;AKOS000163243;LS-78128;VS-02910;4-(2-methyl-1H-imidazol-1-yl)butanoicacid;BB 0219989;CS-0282388;EN300-55874;Z285049632

Chemical Property of 4-(2-methyl-1H-imidazol-1-yl)butanoic acid

Chemical Property:

• Vapor Pressure: 6.06E-07mmHg at 25°C
• Boiling Point: 394.9°Cat760mmHg
• PKA: 4.60±0.10(Predicted)
• Flash Point: 192.6°C
• PSA: 55.12000
• Density: 1.18g/cm³
• LogP: 1.05630
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 168.089877630
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

98%Min ^*data from raw suppliers

4-(2-Methyl-1H-imidazol-1-yl)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC=CN1CCCC(=O)O