Coriphosphine O , CAS No.5409-37-0

CAS: 5409-37-0 Cat. No.: C481183 Summenformel: C₁₆H₁₈ClN₃ Molekulargewicht: 287.79 EG-Nummer: 611-093-8

Synonyms

Basic Yellow 7

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Basic Yellow 7

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

• Kanonisches Lächeln: CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2)N(C)C.Cl
• IUPAC Name: 6-N,6-N,2-trimethylacridine-3,6-diamine;hydrochloride
• InChIKey: JRMDFAKCPRMZKA-UHFFFAOYSA-N
• INCHI: 1S/C16H17N3.ClH/c1-10-6-12-7-11-4-5-13(19(2)3)8-15(11)18-16(12)9-14(10)17;/h4-9H,17H2,1-3H3;1H
• Isomere SMILES: CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2)N(C)C.Cl
• Molekulargewicht: 287.79
• Reaxy-Rn: 6018611
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6018611&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Aminoquinolines and derivatives Tertiary alkylarylamines Pyridines and derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Aminoquinoline - Tertiary aliphatic/aromatic amine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary amine - Azacycle - Organic chloride salt - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organopnictogen compound - Amine - Organic salt - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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: Soluble in water, ethanol
• Molekulargewicht: 287.790 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 287.119 Da
• Monoisotopic Mass: 287.119 Da
• Topological Polar Surface Area: 42.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 317.000
• 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

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