4-Morpholinobenzoic acid - ≥95% , CAS No.7470-38-4

CAS: 7470-38-4 Cat. No.: M304545 Molecular Weight: 207.23 EC Number: 626-154-4

GRADE & PURITY ≥95%

Synonyms

4-(4-Morpholinyl)benzoicAcid | 4-(morpholine-4-yl)-benzoic acid | AR3104 | 4-(4-Morpholinyl)benzoic acid, 97% | 4-morpholin-4-yl benzoic acid | STK500992 | HSDB 5020 | Benzoic acid, 4-(4-morpholinyl)- | DTXSID60996238 | NCGC00331156-01 | 4-Morpholinobenze

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-(4-Morpholinyl)benzoicAcid | 4-(morpholine-4-yl)-benzoic acid | AR3104 | 4-(4-Morpholinyl)benzoic acid, 97% | 4-morpholin-4-yl benzoic acid | STK500992 | HSDB 5020 | Benzoic acid, 4-(4-morpholinyl)- | DTXSID60996238 | NCGC00331156-01 | 4-Morpholinobenze

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504758529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758529
• Canonical Smiles: C1COCCN1C2=CC=C(C=C2)C(=O)O
• IUPAC Name: 4-morpholin-4-ylbenzoic acid
• InChIKey: XVAJKPNTGSKZSQ-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO3/c13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h1-4H,5-8H2,(H,13,14)
• Isomeric SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)O
• Molecular Weight: 207.23
• Reaxy-Rn: 986515
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=986515&ln=

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: Aminobenzoic acids Benzoic acids Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Amino acids Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoic acid - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Tertiary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Slightly soluble in water.
• Sensitivity: Light & Moisture &Heat Sensitive
• Melt Point(°C): 284-289°C
• Molecular Weight: 207.230 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 207.09 Da
• Monoisotopic Mass: 207.09 Da
• Topological Polar Surface Area: 49.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 218.000
• 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