6-Chloropyrimidine-2,4,5-triamine - ≥97% , CAS No.1194-78-1

CAS: 1194-78-1 Cat. No.: C190004 Fórmula: C₄H₆ClN₅ Peso molecular: 159.58 Número CE: 982-227-3

GRADE & PURITY ≥97%

Synonyms

J-507049 | MFCD11114448 | 2,4,5-TRIAMINO-6-CHLOROPYRIMIDINE | EN300-1273031 | 6-chloropyrimidine-2,4,5-triamine | DTXSID10333331 | 6-Chloro-2,4,5-pyrimidinetriamine;6-Chloropyrimidine-2,4,5-triamine | BMCHNFZLERXZBI-UHFFFAOYSA-N | 6-chloro-2,4,5-Pyrimidin

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

J-507049 | MFCD11114448 | 2,4,5-TRIAMINO-6-CHLOROPYRIMIDINE | EN300-1273031 | 6-chloropyrimidine-2,4,5-triamine | DTXSID10333331 | 6-Chloro-2,4,5-pyrimidinetriamine;6-Chloropyrimidine-2,4,5-triamine | BMCHNFZLERXZBI-UHFFFAOYSA-N | 6-chloro-2,4,5-Pyrimidin

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 528755344
• Sorrisos canónicos: C1(=C(N=C(N=C1Cl)N)N)N
• IUPAC Name: 6-chloropyrimidine-2,4,5-triamine
• InChIKey: BMCHNFZLERXZBI-UHFFFAOYSA-N
• INCHI: 1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
• SMILES isoméricas: C1(=C(N=C(N=C1Cl)N)N)N
• Peso molecular: 159.58
• Reaxy-Rn: 610162
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=610162&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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

Propriedades químicas e físicas

• Peso molecular: 159.580 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 159.031 Da
• Monoisotopic Mass: 159.031 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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