(1-Methyl-2-imidazolyl)methanol - CAS 17334-08-6

Catalog:	BB012915
Product Name:	(1-Methyl-2-imidazolyl)methanol
CAS:	17334-08-6
Synonyms:	(1-methyl-2-imidazolyl)methanol; (1-methylimidazol-2-yl)methanol

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Computed Properties

IUPAC Name:	(1-methylimidazol-2-yl)methanol
Description:	(1-Methyl-2-imidazolyl)methanol (CAS# 17334-08-6) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CN1C=CN=C1CO
InChI:	InChI=1S/C5H8N2O/c1-7-3-2-6-5(7)4-8/h2-3,8H,4H2,1H3
InChI Key:	CDQDMLWGTVLQEE-UHFFFAOYSA-N
Boiling Point:	279.9 °C at 760 mmHg
Density:	1.16 g/cm³
Appearance:	White to light yellow crystals
MDL:	MFCD00964673
LogP:	-0.08760

Publication Number	Title	Priority Date
CN-113307916-A	Silsesquioxane modified acrylate flame-retardant toughening agent and preparation method thereof	20210622
CN-112264090-A	Double-acid type ionic liquid catalyst and preparation method and application thereof	20201119
WO-2021191378-A1	5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer	20200326
WO-2021191872-A1	Heteroaryl-substituted macrocyclic flu endonuclease inhibitors	20200326
WO-2021172204-A1	Method for producing capped rna	20200228

PMID	Publication Date	Title	Journal
22090941	20110801	2-Hy-droxy-methyl-1,3-dimethyl-imidazolium iodide	Acta crystallographica. Section E, Structure reports online
16270967	20051114	Synthesis, structures, and magnetic properties of heteronuclear Cu(II)-Ln(III) (Ln = La, Gd, or Tb) complexes	Inorganic chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.063662883
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	38
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8