4-Morpholinophenylguanidine - ≥97% , CAS No.247234-41-9

CAS: 247234-41-9 Cat. No.: N710573 Molecular Weight: 220.27

GRADE & PURITY ≥97%

Synonyms

4-Morpholinophenylguanidine | N-[4-(Morpholin-4-yl)phenyl]guanidine | 1-(4-Morpholinophenyl)guanidine | 1-[4-(4-Morpholinyl)phenyl]guanidine | Guanidine,N-[4-(4-morpholinyl)phenyl]- | 2-(4-morpholin-4-ylphenyl)guanidine | 4-Morpholinylphenylguanidine

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-Morpholinophenylguanidine | N-[4-(Morpholin-4-yl)phenyl]guanidine | 1-(4-Morpholinophenyl)guanidine | 1-[4-(4-Morpholinyl)phenyl]guanidine | Guanidine, N-[4-(4-morpholinyl)phenyl]- | 2-(4-morpholin-4-ylphenyl)guanidine | 4-Morpholinylphenylguanidine

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1COCCN1C2=CC=C(C=C2)N=C(N)N
• IUPAC Name: 2-(4-morpholin-4-ylphenyl)guanidine
• InChIKey: ZVZJREQBRCRGLM-UHFFFAOYSA-N
• INCHI: 1S/C11H16N4O/c12-11(13)14-9-1-3-10(4-2-9)15-5-7-16-8-6-15/h1-4H,5-8H2,(H4,12,13,14)
• Isomeric SMILES: C1COCCN1C2=CC=C(C=C2)N=C(N)N
• Alternate CAS: 247234-41-9；1340588-49-9
• Molecular Weight: 220.27

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: Dialkylarylamines Aniline and substituted anilines Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylmorpholine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Guanidine - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Ether - Dialkyl ether - Organic 1,3-dipolar compound - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen 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

• Sensitivity: light sensitive
• Molecular Weight: 220.270 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 220.132 Da
• Monoisotopic Mass: 220.132 Da
• Topological Polar Surface Area: 76.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238.000
• 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