2-(2-Imidazolyl)ethanol - CAS 51036-79-4

Catalog:	BB027303
Product Name:	2-(2-Imidazolyl)ethanol
CAS:	51036-79-4
Synonyms:	2-(1H-imidazol-2-yl)ethanol; 2-(1H-imidazol-2-yl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(1H-imidazol-2-yl)ethanol
Description:	2-(2-Imidazolyl)ethanol (CAS# 51036-79-4) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	C1=CN=C(N1)CCO
InChI:	InChI=1S/C5H8N2O/c8-4-1-5-6-2-3-7-5/h2-3,8H,1,4H2,(H,6,7)
InChI Key:	JEUPWQVILXWUFD-UHFFFAOYSA-N
Boiling Point:	382.867 °C at 760 mmHg
Density:	1.228 g/cm³
Appearance:	White crystalline powder
LogP:	-0.05550

Publication Number	Title	Priority Date
US-2015376101-A1	Hetereocyclic agent as catalytic stabilizing agent in a hydroformylation process	20130315
WO-2014149915-A1	Hetereocyclic agent as catalytic stabilizing agent in a hydroformylation process	20130315
WO-2014131315-A1	Bridged ring compounds as hepatitis c virus inhibitors, pharmaceutical compositions and uses thereof	20130227
US-2015299215-A1	Spiro ring compound as hepatitis c virus (hcv) inhibitor and uses thereof	20121129
US-2015307509-A1	Fused ring compounds as hepatitis c virus inhibitors, pharmaceutical compositions and uses thereof	20121129

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	67.4
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	112.063662883
Rotatable Bond Count:	2
Topological Polar Surface Area:	48.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3