Tetrahydropyran-2-methanol - CAS 100-72-1

Catalog:	BB000312
Product Name:	Tetrahydropyran-2-methanol
CAS:	100-72-1
Synonyms:	oxan-2-ylmethanol

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Computed Properties

IUPAC Name:	oxan-2-ylmethanol
Description:	Tetrahydropyran-2-methanol (CAS# 100-72-1) is a useful research chemical.
Molecular Weight:	116.16
Molecular Formula:	C6H12O2
Canonical SMILES:	C1CCOC(C1)CO
InChI:	InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
InChI Key:	ROTONRWJLXYJBD-UHFFFAOYSA-N
Boiling Point:	187 °C
Melting Point:	187 °C
Purity:	95 %
Density:	1.027 g/cm³
Appearance:	Colorless liquid
LogP:	0.54780
Vapor Pressure:	0.1 [mmHg]

Publication Number	Title	Priority Date
WO-2021198020-A1	3-(anilino)-2-[3-(3-alkoxy-pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one derivatives as egfr inhibitors for the treatment of cancer	20200331
WO-2021123394-A1	G protein-coupled receptor modulators and a pharmaceutical composition	20191220
US-2021186935-A1	Rapamycin analogs and uses thereof	20191205
WO-2021113665-A1	Rapamycin analogs and uses thereof	20191205
WO-2020239124-A1	SUBSTITUTED PYRROLO [2, 3-b] PYRIDINE AND PYRAZOLO [3, 4-b] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS	20190531

PMID	Publication Date	Title	Journal
16632403	20060101	Study of the mechanisms of uptake of 5-aminolevulinic acid derivatives by PEPT1 and PEPT2 transporters as a tool to improve photodynamic therapy of tumours	The international journal of biochemistry & cell biology

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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:	63.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.083729621
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.083729621
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3