3-(Hydroxymethyl)azetidine Hydrochloride - CAS 928038-44-2

Catalog:	BB040646
Product Name:	3-(Hydroxymethyl)azetidine Hydrochloride
CAS:	928038-44-2
Synonyms:	3-azetidinylmethanol;hydrochloride; azetidin-3-ylmethanol;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	azetidin-3-ylmethanol;hydrochloride
Description:	3-(Hydroxymethyl)azetidine Hydrochloride (CAS# 928038-44-2) is used in the synthesis of human rhinovirus inhibitors.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	C1C(CN1)CO.Cl
InChI:	InChI=1S/C4H9NO.ClH/c6-3-4-1-5-2-4;/h4-6H,1-3H2;1H
InChI Key:	AQUVQGSNKVDBBF-UHFFFAOYSA-N
LogP:	0.32890

Publication Number	Title	Priority Date
CN-113493453-A	Fused aromatic ring derivative, preparation method and medical application thereof	20200407
WO-2021194326-A1	Aminopyrimidine derivatives and their use as aryl hydrocarbon receptor modulators	20200327
WO-2021133809-A1	Inhibitors of mutant forms of egfr	20191223
WO-2021116446-A1	Functionalized heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211
WO-2021116451-A1	Heterocyclic compounds as modulators of stimulator of interferon genes (sting)	20191211

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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:	42.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.0450916
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0