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

CAS: 7470-38-4 Cat. No.: M304545 Formule: C₁₁H₁₃NO₃ Poids moléculaire: 207.23 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 504758529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758529
• Sourires canoniques: 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)
• Isomères SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)O
• Poids moléculaire: 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
    • Classe Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water.
• Sensibilité: Light & Moisture &Heat Sensitive
• Point de fusion (°C): 284-289°C
• Poids moléculaire: 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