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Methyl 4-morpholinobenzoate - ≥98%, high purity , CAS No.23676-05-3

COA

Grade & Purity:

≥98%

Cas Number: 23676-05-3
Molecular Weight: 221.25
PubChem CID: 5178200

In stock

Item Number

M709499

Grouped product items
SKU	Size	Availability	Price	Qty
M709499-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$71.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxazinanes
    - Subclass Morpholines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxazinanes
Subclass	Morpholines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmorpholines
Alternative Parents	Benzoic acid esters Aminobenzoic acids and derivatives Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Methyl esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylmorpholine - Aminobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Benzenoid - Monocyclic benzene moiety - Methyl ester - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Dialkyl ether - Azacycle - Carboxylic acid derivative - Oxacycle - Organonitrogen compound - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	methyl 4-morpholin-4-ylbenzoate
INCHI	InChI=1S/C12H15NO3/c1-15-12(14)10-2-4-11(5-3-10)13-6-8-16-9-7-13/h2-5H,6-9H2,1H3
InChIKey	MMSNLLYQDUZFFR-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)N2CCOCC2
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)N2CCOCC2
PubChem CID	5178200
Molecular Weight	221.25

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	221.250 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	221.105 Da
Monoisotopic Mass	221.105 Da
Topological Polar Surface Area	38.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	230.000
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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