4-(Hydroxymethyl)imidazole - CAS 822-55-9

Catalog:	BB036779
Product Name:	4-(Hydroxymethyl)imidazole
CAS:	822-55-9
Synonyms:	1H-imidazol-5-ylmethanol; 1H-imidazol-5-ylmethanol

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Computed Properties

IUPAC Name:	1H-imidazol-5-ylmethanol
Description:	4-(Hydroxymethyl)imidazole (CAS# 822-55-9) is a useful research chemical.
Molecular Weight:	98.10
Molecular Formula:	C4H6N2O
Canonical SMILES:	C1=C(NC=N1)CO
InChI:	InChI=1S/C4H6N2O/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
InChI Key:	QDYTUZCWBJRHKK-UHFFFAOYSA-N
Boiling Point:	393.7 °C at 760 mmHg
Density:	1.311 g/cm³
MDL:	MFCD00266718
LogP:	-0.09800

Publication Number	Title	Priority Date
US-2016102096-A1	Compounds and methods for inhibiting histone demethylases	20140827
WO-2015179441-A2	Macrocyclic broad spectrum antibiotics	20140520
US-2015313891-A1	Neuronal nicotinic agonists and methods of use	20140502
WO-2015161142-A1	Quinoxaline compounds and uses thereof	20140418
WO-2015031708-A1	Methods of identifying cosmetic agents for treating periorbital dyschromia and systems therefor	20130830

PMID	Publication Date	Title	Journal
21686155	20110101	Conformationally constrained histidines in the design of peptidomimetics: strategies for the χ-space control	International journal of molecular sciences
19730755	20090301	Effects of 4-methylimidazole on cerebral glutamate decarboxylase activity and specific GABA receptor binding in mice	Toxicology mechanisms and methods
21581133	20081108	(4-Hydroxy-methyl-1H-imidazole-κN)bis-(tri-tert-butoxy-silanethiol-ato-κO,S)cadmium(II)	Acta crystallographica. Section E, Structure reports online
18599973	20080701	Two isomorphous ZnII/CoII complexes with tri-tert-butoxysilanethiol and histamine, and (4-hydroxymethyl-1H-imidazole-kappaN)bis(tri-tert-butoxysilanethiolato-kappa2O,S)zinc(II)	Acta crystallographica. Section C, Crystal structure communications
12094046	20020701	Losartan potassium, a non-peptide agent for the treatment of arterial hypertension	Acta crystallographica. Section C, Crystal structure communications

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.048012819
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	98.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8