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4-Morpholin-4-yl-phenol - Reagent Grade, high purity , CAS No.6291-23-2
Basic Description
Synonyms
4-morpholin-4-ylphenol | 4-Morpholinophenol | AMY32878 | MFCD00037122 | 4-(4-Morpholinyl)phenol | DTXSID50212095 | MAGNESIUMFORMATEDIHYDRATE | 4-p-Hydroxyphenylmorpholine | 3-phenyl-2-(phenylmethoxycarbonylamino)propanoic acid | EINECS 228-542-5 | L-Glu-L
Specifications & Purity
Reagent grade
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Oxazinanes
Subclass
Morpholines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmorpholines
Alternative Parents
p-Aminophenols Dialkylarylamines Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylmorpholine - Aminophenol - P-aminophenol - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-morpholin-4-ylphenol
INCHI
InChI=1S/C10H13NO2/c12-10-3-1-9(2-4-10)11-5-7-13-8-6-11/h1-4,12H,5-8H2
InChIKey
GPPRMDWJKBFBMZ-UHFFFAOYSA-N
Smiles
C1COCCN1C2=CC=C(C=C2)O
Isomeric SMILES
C1COCCN1C2=CC=C(C=C2)O
Reaxy-Rn
150963
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=150963&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
179.220 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
179.095 Da
Monoisotopic Mass
179.095 Da
Topological Polar Surface Area
32.700 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
149.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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