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Home > Encyclopedia > 1H-Imidazole-1-acetic acid

1H-Imidazole-1-acetic acid

1H-Imidazole-1-acetic acid structure

1H-Imidazole-1-acetic acid 

structure
  • CAS No:

    22884-10-2

  • Formula:

    C5H6N2O2

  • Chemical Name:

    1H-Imidazole-1-acetic acid

  • 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

  • Categories:

    Pharmaceutical Intermediates  >  Heterocyclic Compound

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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