3-Methylmorpholine - CAS 42185-06-8

Catalog:	BB025072
Product Name:	3-Methylmorpholine
CAS:	42185-06-8
Synonyms:	3-methylmorpholine; 3-methylmorpholine

Technical Data

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Computed Properties

IUPAC Name:	3-methylmorpholine
Description:	3-Methylmorpholine (CAS# 42185-06-8) is a useful research chemical.
Molecular Weight:	101.15
Molecular Formula:	C5H11NO
Canonical SMILES:	CC1COCCN1
InChI:	InChI=1S/C5H11NO/c1-5-4-7-3-2-6-5/h5-6H,2-4H2,1H3
InChI Key:	SFWWGMKXCYLZEG-UHFFFAOYSA-N
Boiling Point:	137.1 °C at 760 mmHg
Density:	0.891 g/cm³
MDL:	MFCD09054773
LogP:	0.32350

Publication Number	Title	Priority Date
CN-113045559-A	Diaryl urea PI3K alpha/mTOR double-target inhibitor and pharmaceutical composition and application thereof	20210315
WO-2021204258-A1	Azabicyclo compound as hepatitis b surface antigen inhibitor	20200409
WO-2021189036-A1	Taf1 inhibitors	20200320
WO-2021185305-A1	Indazole derivative and medical use thereof	20200318
US-2021188827-A1	Atm kinase inhibitors and compositions and methods of use thereof	20191204

PMID	Publication Date	Title	Journal
22523458	20120101	Design and Microwave-assisted Synthesis of 1,3,4-Oxadiazole Derivatives for Analgesic and Anti-inflammatory Activity	Journal of young pharmacists : JYP
20223664	20100415	Triazines incorporating (R)-3-methylmorpholine are potent inhibitors of the mammalian target of rapamycin (mTOR) with selectivity over PI3Kalpha	Bioorganic & medicinal chemistry letters
12727542	20030401	Synthesis and anti-inflammatory activity of 5-(6-methyl-2-substituted 4-pyrimidinyloxymethyl)-1,3,4-oxadiazole-2-thiones and their 3-morpholinomethyl derivatives	Farmaco (Societa chimica italiana : 1989)

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[414906-50-6]
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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	101.084063974
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	101.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1