4-Amino-6-cloropirimidina-5-carboxaldehído - ≥97% , CAS No.14160-93-1

CAS: 14160-93-1 Cat. No.: A132131 Peso molecular: 157.56 Número EC: 238-005-7

GRADE & PURITY ≥97%

Synonyms

A18196 | GOJNFUXEBVBARW-UHFFFAOYSA-N | AKOS005070028 | BCP21661 | 4-Amino-6-chloro-5-pyrimidinecarbaldehyde | 4-Amino-6-chloro-5-pyrimidinecarbaldehyde, AldrichCPR | FT-0680176 | W-205560 | MFCD03789626 | 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde | EN30

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

A18196 | GOJNFUXEBVBARW-UHFFFAOYSA-N | AKOS005070028 | BCP21661 | 4-Amino-6-chloro-5-pyrimidinecarbaldehyde | 4-Amino-6-chloro-5-pyrimidinecarbaldehyde, AldrichCPR | FT-0680176 | W-205560 | MFCD03789626 | 4-Amino-6-chloro-5-pyrimidinecarboxaldehyde | EN30

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=NC(=C(C(=N1)Cl)C=O)N
• IUPAC Name: 4-amino-6-chloropyrimidine-5-carbaldehyde
• InChIKey: GOJNFUXEBVBARW-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClN3O/c6-4-3(1-10)5(7)9-2-8-4/h1-2H,(H2,7,8,9)
• Isómeros SMILES: C1=NC(=C(C(=N1)Cl)C=O)N
• Peso molecular: 157.56
• Reaxy-Rn: 776283
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=776283&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aryl-aldehydes Aminopyrimidines and derivatives Imidolactams Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Halopyrimidine - Aryl-aldehyde - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azacycle - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 157.560 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.004 Da
• Monoisotopic Mass: 157.004 Da
• Topological Polar Surface Area: 68.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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