2,8-Dichloroquinazolin-4-amine - ≥97% , CAS No.1107694-84-7

CAS: 1107694-84-7 Cat. No.: D189679 Summenformel: C₈H₅Cl₂N₃ Molekulargewicht: 214.05

GRADE & PURITY ≥97%

Synonyms

2,8-Dichloroquinazolin-4-amine | 2,8-dichloroquinazoline-4-amine | DS-2839 | MFCD11858259 | 4-amino-2,8-dichloroquinazoline | SCHEMBL2916286 | 1107694-84-7 | AKOS016011335 | DTXSID90653120 | A894845

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

2,8-Dichloroquinazolin-4-amine | 2,8-dichloroquinazoline-4-amine | DS-2839 | MFCD11858259 | 4-amino-2,8-dichloroquinazoline | SCHEMBL2916286 | 1107694-84-7 | AKOS016011335 | DTXSID90653120 | A894845

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC2=C(C(=C1)Cl)N=C(N=C2N)Cl
• IUPAC Name: 2,8-dichloroquinazolin-4-amine
• InChIKey: BWHIMSYPTNZFDJ-UHFFFAOYSA-N
• INCHI: 1S/C8H5Cl2N3/c9-5-3-1-2-4-6(5)12-8(10)13-7(4)11/h1-3H,(H2,11,12,13)
• Isomere SMILES: C1=CC2=C(C(=C1)Cl)N=C(N=C2N)Cl
• Molekulargewicht: 214.05
• Reaxy-Rn: 20609135
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20609135&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines
        • Ebene5 Quinazolines
          • Ebene6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Benzenoids Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
• 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

• Molekulargewicht: 214.050 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 212.986 Da
• Monoisotopic Mass: 212.986 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 190.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1107694-84-7, the molecular formula is C8H5Cl2N3, and the molecular weight is 214.05 g/mol. InChIKey BWHIMSYPTNZFDJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.