1-Methyl-3-azetidinol Hydrochloride - CAS 26687-49-0

Catalog:	BB019344
Product Name:	1-Methyl-3-azetidinol Hydrochloride
CAS:	26687-49-0
Synonyms:	1-methyl-3-azetidinol;hydrochloride; 1-methylazetidin-3-ol;hydrochloride

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Computed Properties

IUPAC Name:	1-methylazetidin-3-ol;hydrochloride
Description:	1-Methyl-3-azetidinol Hydrochloride (CAS# 26687-49-0) is a useful research chemical.
Molecular Weight:	123.58
Molecular Formula:	C4H10ClNO
Canonical SMILES:	CN1CC(C1)O.Cl
InChI:	InChI=1S/C4H9NO.ClH/c1-5-2-4(6)3-5;/h4,6H,2-3H2,1H3;1H
InChI Key:	GYTMWEWMNIDGQA-UHFFFAOYSA-N
LogP:	0.03260

Publication Number	Title	Priority Date
WO-2021032992-A1	Pharmaceutical compounds	20190820
WO-2019219820-A1	Substituted condensed thiophenes as modulators of sting	20180516
AU-2019270394-A1	Substituted condensed thiophenes as modulators of sting	20180516
CN-112424181-A	Substituted condensed thiophenes as STING modulators	20180516
EP-3793988-A1	Substituted condensed thiophenes as modulators of sting	20180516

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	49.5
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:	2
Isotope Atom Count:	0
Monoisotopic Mass:	123.0450916
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0