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

CAS: 7470-38-4 Cat. No.: M304545 Summenformel: C₁₁H₁₃NO₃ Molekulargewicht: 207.23 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504758529
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758529
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1COCCN1C2=CC=C(C=C2)C(=O)O
• Molekulargewicht: 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
    • Klasse Oxazinanes
      • Subclass Morpholines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Empfindlichkeit: Light & Moisture &Heat Sensitive
• Schmelzpunkt (°C): 284-289°C
• Molekulargewicht: 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