1H-Imidazole-1-acetic acid
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1H-Imidazole-1-acetic acid
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CAS No:
22884-10-2
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Formula:
C5H6N2O2
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Chemical Name:
1H-Imidazole-1-acetic acid
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Synonyms:
1H-Imidazole-1-acetic acid;Imidazole-1-acetic acid;Imidazol-1-ylacetic acid;2-(1H-Imidazol-1-yl)acetic acid;(1H-Imidazol-1-yl)acetic acid;2-(1H-Imidazol-3-ium-3-yl)acetate
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CAS No:
Description
Imidazol-1-yl-acetic acid is an endogenous metabolite.
Solid
Imidazol-1-ylacetic acid is an imidazolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an imidazol-1-yl group. It has a role as a metabolite. It derives from an acetic acid.
1H-Imidazole-1-acetic acid Basic Attributes
126.113
126.11
607-175-8
WHC1J1G932
DTXSID20177425
2933290090
Characteristics
55.12000
-0.3
Solid
1.3±0.1 g/cm3
268-269 °C (decomp)
392.1±25.0 °C at 760 mmHg
190.9±23.2 °C
1.588
7.49E-07mmHg at 25°C
Safety Information
NONH for all modes of transport
R36/37/38
26-39
Xi:Irritant
P280-P305 + P351 + P338 + P310
H315-H318-H335
1H-Imidazole-1-acetic acid Use and Manufacturing
An impurity arising in the synthesis of zoledronic acid (Z623500).
Computed Properties
Molecular Weight:126.11
XLogP3:-0.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:126.042927438
Monoisotopic Mass:126.042927438
Topological Polar Surface Area:55.1
Heavy Atom Count:9
Complexity:116
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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