3-imidazol-1-ylpropanoic acid
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3-imidazol-1-ylpropanoic acid
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CAS No:
18999-45-6
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Formula:
C6H8N2O2
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Chemical Name:
3-imidazol-1-ylpropanoic acid
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Synonyms:
imidazolyl propionic acid; 1H-Imidazole-1-propanoic acid; 3-Imidazol-1-Yl-PropionicAcid; 3-(1H-Imidazol-1-yl)propanoic acid; 3-imidazolylpropanoic acid;
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CAS No:
Description
3-(1H-imidazol-1-yl)propanoic acid is an imidazolyl carboxylic acid that is propanoic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group. It is a metabolite of histidine found in human urine and faeces. It has a role as a human urinary metabolite. It derives from a propionic acid.
Safety Information
Xi
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:140.14
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:140.058577502
Monoisotopic Mass:140.058577502
Topological Polar Surface Area:55.1
Heavy Atom Count:10
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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