4-Methylquinazoline - ≥95% , CAS No.700-46-9

CAS: 700-46-9 Cat. No.: M304438 Summenformel: C₉H₈N₂ Molekulargewicht: 144.17

GRADE & PURITY ≥95%

Synonyms

AMY28897 | NSC48974 | NSC-48974 | C76230 | DA8Y3UW6XP | SCHEMBL637552 | 4-Methyl-1,3-quinazoline | AKOS022174732 | DTXSID60287113 | MFCD05982001 | DS-11613 | Quinazoline, 4-methyl- | 4-Methylquinazoline | 4-methyl-quinazoline | A866693

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Synonyme

AMY28897 | NSC48974 | NSC-48974 | C76230 | DA8Y3UW6XP | SCHEMBL637552 | 4-Methyl-1,3-quinazoline | AKOS022174732 | DTXSID60287113 | MFCD05982001 | DS-11613 | Quinazoline, 4-methyl- | 4-Methylquinazoline | 4-methyl-quinazoline | A866693

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Desiccated

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC1=NC=NC2=CC=CC=C12

IUPAC Name

4-methylquinazoline

InChIKey

JWEOEZZCZCCPJL-UHFFFAOYSA-N

INCHI

1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3

Isomere SMILES

CC1=NC=NC2=CC=CC=C12

Molekulargewicht

144.17

Reaxy-Rn

114476

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114476&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Benzenoids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

• Siedepunkt (°C): 261°C
• Molekulargewicht: 144.170 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 144.069 Da
• Monoisotopic Mass: 144.069 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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