1-Methyl-4-imidazolemethanol - CAS 17289-25-7

Catalog:	BB012869
Product Name:	1-Methyl-4-imidazolemethanol
CAS:	17289-25-7
Synonyms:	(1-methyl-4-imidazolyl)methanol; (1-methylimidazol-4-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(1-methylimidazol-4-yl)methanol
Description:	1-Methyl-4-imidazolemethanol (CAS# 17289-25-7) is a useful research chemical.
Molecular Weight:	112.13
Molecular Formula:	C5H8N2O
Canonical SMILES:	CN1C=C(N=C1)CO
InChI:	InChI=1S/C5H8N2O/c1-7-2-5(3-8)6-4-7/h2,4,8H,3H2,1H3
InChI Key:	NLEAEGDBKRBJAP-UHFFFAOYSA-N
Boiling Point:	324.9 °C at 760 mmHg
Density:	1.16 g/cm³
Appearance:	Solid
MDL:	MFCD06738905
LogP:	-0.08760

Publication Number	Title	Priority Date
WO-2021041671-A1	Kras g12d inhibitors	20190829
WO-2020035031-A1	Fused ring compounds	20180816
AU-2019320945-A1	Fused ring compounds	20180816
EP-3746436-A1	Fused ring compounds	20180816
KR-20200115549-A	Fused ring compound	20180816

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Related Functional Groups

Alcohols and Derivatives

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8