4-(4-Aminophenyl)morpholin-3-one - ≥98% , CAS No.438056-69-0

CAS: 438056-69-0 Cat. No.: A140078 Molecular Weight: 192.22 EC Number: 610-147-8

GRADE & PURITY ≥98%

Synonyms

4-(4-Morpholin-3-onyl)aniline | PB25032 | SY301821 | AKOS016001130 | AKOS006284751 | HE-0208 | MFCD08236742 | 4-(3-Oxo-4-morpholinyl)aniline; 4-(4-Aminophenyl)-3-morpholinone; 4-(4-Aminophenyl)morpholin-3-one | 4-(3-Oxomorpholino)aniline | AC-2721 | BCP90

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

4-(4-Morpholin-3-onyl)aniline | PB25032 | SY301821 | AKOS016001130 | AKOS006284751 | HE-0208 | MFCD08236742 | 4-(3-Oxo-4-morpholinyl)aniline; 4-(4-Aminophenyl)-3-morpholinone; 4-(4-Aminophenyl)morpholin-3-one | 4-(3-Oxomorpholino)aniline | AC-2721 | BCP90

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488197271
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197271
• Canonical Smiles: C1COCC(=O)N1C2=CC=C(C=C2)N
• IUPAC Name: 4-(4-aminophenyl)morpholin-3-one
• InChIKey: MHCRLDZZHOVFEE-UHFFFAOYSA-N
• INCHI: 1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2
• Isomeric SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N
• Alternate CAS: 438056-69-0
• Molecular Weight: 192.22
• Reaxy-Rn: 9482023
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9482023&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: Aniline and substituted anilines Tertiary carboxylic acid amides Lactams Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Organopnictogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Carbonyl group - 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

• Sensitivity: Air Sensitive
• Melt Point(°C): 171.0-175.0℃
• Molecular Weight: 192.210 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 192.09 Da
• Monoisotopic Mass: 192.09 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 212.000
• 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