Moroxydine hydrochloride - analytical standard, ≥99.8% , CAS No.3160-91-6

CAS: 3160-91-6 Cat. No.: M110301 Molecular Weight: 207.66 EC Number: 221-612-6

GRADE & PURITY Analytical standard, ≥99.8%

Synonyms

4-Morpholinecarboxamidine, monohydrochloride | AC-14457 | N-[amino(imino)methyl]morpholine-4-carboximidamide hydrochloride | 3-(2,5-dimethoxy-phenyl)-propionic acid | N(sup 1),N(sup 1)-Anhydrobis(beta-hydroxyethyl)biguanide hydrochloride | NCGC00016623-05

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Morpholinecarboxamidine, monohydrochloride | AC-14457 | N-[amino(imino)methyl]morpholine-4-carboximidamide hydrochloride | 3-(2, 5-dimethoxy-phenyl)-propionic acid | N(sup 1), N(sup 1)-Anhydrobis(beta-hydroxyethyl)biguanide hydrochloride | NCGC00016623-05

Specifications & Purity

analytical standard, ≥99.8%

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥99.8%

Names and Identifiers

• Canonical Smiles: C1COCCN1C(=N)N=C(N)N.Cl
• IUPAC Name: N-(diaminomethylidene)morpholine-4-carboximidamide;hydrochloride
• InChIKey: FXYZDFSNBBOHTA-UHFFFAOYSA-N
• INCHI: 1S/C6H13N5O.ClH/c7-5(8)10-6(9)11-1-3-12-4-2-11;/h1-4H2,(H5,7,8,9,10);1H
• Isomeric SMILES: C1COCCN1C(=N)N=C(N)N.Cl
• WGK Germany: 3
• Molecular Weight: 207.66
• Reaxy-Rn: 28876337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28876337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Guanidines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Guanidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Biguanides
• Alternative Parents: Morpholines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkyl ethers Carboximidamides Azacyclic compounds Organopnictogen compounds Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Biguanide - Morpholine - Oxazinane - Dialkyl ether - Ether - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxygen compound - Imine - Organopnictogen compound - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biguanides. These are organic compounds containing two N-linked guanidines.
• 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

• Melt Point(°C): 211-214°C
• Molecular Weight: 207.660 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 207.089 Da
• Monoisotopic Mass: 207.089 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192.000
• 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: 2

XLogP3

References

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