4-(4-Ethynylphenyl)morpholine - CAS 41876-72-6

Catalog:	BB024983
Product Name:	4-(4-Ethynylphenyl)morpholine
CAS:	41876-72-6
Synonyms:	4-(4-ethynylphenyl)morpholine; 4-(4-ethynylphenyl)morpholine

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Computed Properties

IUPAC Name:	4-(4-ethynylphenyl)morpholine
Description:	4-(4-Ethynylphenyl)morpholine (CAS# 41876-72-6 ) is a useful research chemical.
Molecular Weight:	187.24
Molecular Formula:	C12H13NO
Canonical SMILES:	C#CC1=CC=C(C=C1)N2CCOCC2
InChI:	InChI=1S/C12H13NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h1,3-6H,7-10H2
InChI Key:	GCDSLECRPQHOJR-UHFFFAOYSA-N
LogP:	1.56950

Publication Number	Title	Priority Date
US-2020308163-A1	Compounds and compositions as modulators of tlr signaling	20190326
WO-2020198368-A1	Compounds and compositions as modulators of tlr signaling	20190326
WO-2019191410-A1	Inhibitors for the Î²-catenin / t-cell factor proteinâ€"protein interaction	20180329
US-2021017139-A1	Inhibitors for the b-catenin / t-cell factor protein-protein interaction	20180329
EP-3480195-A1	Method for the synthesis of cyclic depsipeptides	20171107

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

Complexity:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.099714038
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	12.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6