2-Amino-7-bromoquinazoline - ≥96% , CAS No.190274-15-8

CAS: 190274-15-8 Cat. No.: A182398 Molecular Weight: 224.1 EC Number: 810-238-4

GRADE & PURITY ≥96%

Synonyms

7-bromoquinazolin-2-amine|190274-15-8|2-AMINO-7-BROMOQUINAZOLINE|2-Quinazolinamine, 7-bromo-|7-Bromo-quinazolin-2-ylamine|MFCD09027698|SCHEMBL1741867|DTXSID70444755|CFUQBLOSOCYEIG-UHFFFAOYSA-N|BCP13678|AKOS015897193|AS-8338|BP-20117|SY027744|BB 0261215|FT

Storage

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

Shipped In

Wet ice

Specifications

Synonyms

7-bromoquinazolin-2-amine | 190274-15-8 | 2-AMINO-7-BROMOQUINAZOLINE | 2-Quinazolinamine, 7-bromo- | 7-Bromo-quinazolin-2-ylamine | MFCD09027698 | SCHEMBL1741867 | DTXSID70444755 | CFUQBLOSOCYEIG-UHFFFAOYSA-N | BCP13678 | AKOS015897193 | AS-8338 | BP-20117 | SY027744 | BB 0261215 | FT

Specifications & Purity

≥96%

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

≥96%

Names and Identifiers

• Pubchem Sid: 488196819
• Canonical Smiles: C1=CC2=CN=C(N=C2C=C1Br)N
• IUPAC Name: 7-bromoquinazolin-2-amine
• InChIKey: CFUQBLOSOCYEIG-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrN3/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H,(H2,10,11,12)
• Isomeric SMILES: C1=CC2=CN=C(N=C2C=C1Br)N
• Molecular Weight: 224.1
• Reaxy-Rn: 7701469
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7701469&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinazolines
          • Level6 Quinazolinamines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinazolines
• Direct Parent: Quinazolinamines
• Alternative Parents: Aminopyrimidines and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazolinamine - Aminopyrimidine - Aryl bromide - Aryl halide - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 224.060 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 222.975 Da
• Monoisotopic Mass: 222.975 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 164.000
• 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