(1-Imidazolyl)acetic Acid - CAS 22884-10-2
Catalog: |
BB017793 |
Product Name: |
(1-Imidazolyl)acetic Acid |
CAS: |
22884-10-2 |
Synonyms: |
2-(1-imidazolyl)acetic acid; 2-imidazol-1-ylacetic acid |
IUPAC Name: | 2-imidazol-1-ylacetic acid |
Description: | An impurity arising in the synthesis of zoledronic acid (Z623500). |
Molecular Weight: | 126.11 |
Molecular Formula: | C5H6N2O2 |
Canonical SMILES: | C1=CN(C=N1)CC(=O)O |
InChI: | InChI=1S/C5H6N2O2/c8-5(9)3-7-2-1-6-4-7/h1-2,4H,3H2,(H,8,9) |
InChI Key: | QAFBDRSXXHEXGB-UHFFFAOYSA-N |
Boiling Point: | 392.1 °C at 760 mmHg |
Melting Point: | 268 - 269 °C |
Density: | 1.33 g/cm3 |
Appearance: | Solid |
MDL: | MFCD01721800 |
LogP: | -0.03230 |
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PMID | Publication Date | Title | Journal |
22168363 | 20120109 | Exploring N-imidazolyl-O-carboxymethyl chitosan for high performance gene delivery | Biomacromolecules |
21353350 | 20110501 | Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors | European journal of medicinal chemistry |
18449497 | 20080401 | Synthesis of new imidazolyl acetic acid derivatives with anti-inflammatory and analgesic activities | Archives of pharmacal research |
19104672 | 20080101 | Synthesis of imidazol-1-yl-acetic acid hydrochloride: a key intermediate for zoledronic acid | Beilstein journal of organic chemistry |
15709426 | 20040701 | [Separation of zoledronic acid and its related substances by ion-pair reversed-phase high performance liquid chromatography] | Se pu = Chinese journal of chromatography |
Complexity: | 116 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.042927438 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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