(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

Technical Data

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Computed Properties

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

Publication Number	Title	Priority Date
CN-112837943-A	Ultrathin two-dimensional nanosheet layer NiCo-MOF material, and preparation method and application thereof	20210422
CN-113004533-A	Two-dimensional nanosheet with double-coordination bimetallic organic framework Co/Fe-I1A and preparation method and application thereof	20210224
CN-111658784-A	Application of polysaccharide quaternary ammonium salt in delivery of nucleic acid and protein	20200615
CN-111604067-A	Halogen silicon oxide bismuth material and preparation method and application thereof	20200602
CN-111303040-A	Method for preparing imidazole-1-acetic acid by one-pot method	20200325

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

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Carbonyl Compounds

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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