3-(Methoxymethyl)morpholine - CAS 955428-52-1

Catalog:	BB041760
Product Name:	3-(Methoxymethyl)morpholine
CAS:	955428-52-1
Synonyms:	3-(methoxymethyl)morpholine;hydrochloride; 3-(methoxymethyl)morpholine;hydrochloride

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Computed Properties

IUPAC Name:	3-(methoxymethyl)morpholine;hydrochloride
Description:	3-(Methoxymethyl)morpholine (CAS# 955428-52-1) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C6H13NO2
Canonical SMILES:	COCC1COCCN1.Cl
InChI:	InChI=1S/C6H13NO2.ClH/c1-8-4-6-5-9-3-2-7-6;/h6-7H,2-5H2,1H3;1H
InChI Key:	ROHMLTGBCWLCIW-UHFFFAOYSA-N
LogP:	-0.05000

Publication Number	Title	Priority Date
WO-2020083878-A1	5-azaindazole derivatives as adenosine receptor antagonists	20181025
CN-112867715-A	5-azaindazole derivatives as adenosine receptor antagonists	20181025
EP-3870582-A1	5-azaindazole derivatives as adenosine receptor antagonists	20181025
KR-20210083287-A	5-azaindazole derivatives as adenosine receptor antagonists	20181025
WO-2020077414-A1	Cyclic compounds as receptor modulating therapeutics and methods and uses thereof	20181018

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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	77.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0713064
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	167.0713064
Rotatable Bond Count:	2
Topological Polar Surface Area:	30.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0