4-Morpholinophenylacetic Acid - CAS 26577-57-1

Catalog:	BB019322
Product Name:	4-Morpholinophenylacetic Acid
CAS:	26577-57-1
Synonyms:	2-[4-(4-morpholinyl)phenyl]acetic acid; 2-(4-morpholin-4-ylphenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(4-morpholin-4-ylphenyl)acetic acid
Description:	4-Morpholinophenylacetic Acid (CAS# 26577-57-1) is a useful research chemical.
Molecular Weight:	221.25
Molecular Formula:	C12H15NO3
Canonical SMILES:	C1COCCN1C2=CC=C(C=C2)CC(=O)O
InChI:	InChI=1S/C12H15NO3/c14-12(15)9-10-1-3-11(4-2-10)13-5-7-16-8-6-13/h1-4H,5-9H2,(H,14,15)
InChI Key:	JCUCSMGLJLRTMT-UHFFFAOYSA-N
LogP:	1.21530

Publication Number	Title	Priority Date
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
CN-111848598-A	Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound	20190426
WO-2020203609-A1	Use of t-type calcium channel blocker for treating pruritus	20190329
WO-2020203610-A1	Use of t-type calcium channel blocker for treating rheumatoid arthritis	20190329
WO-2020017569-A1	T-type calcium channel blocker	20180717

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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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:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.10519334
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.10519334
Rotatable Bond Count:	3
Topological Polar Surface Area:	49.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8