4,5-Diaminopirimidina - ≥98%(HPLC) , CAS No.13754-19-3

CAS: 13754-19-3 Cat. No.: D138191 Fórmula: C₄H₆N₄ Peso molecular: 110.12 Beilstein Registry Number: 112646 Número CE: 237-339-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

AE-842/32231042 | NSC14348 | UNII-IL00Z9WFM8 | AMY2681 | Pyrimidine, 4,5-diamino- | EN300-110278 | 1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOICACID | SCHEMBL24861548 | NSC 14348 | NSC138029 | IL00Z9WFM8 | N-p-methoxyphenylphthalimide | 4,5-

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

AE-842/32231042 | NSC14348 | UNII-IL00Z9WFM8 | AMY2681 | Pyrimidine, 4,5-diamino- | EN300-110278 | 1,3-DIHYDRO-ALPHA-HYDROXY-1,3-DIOXO-2H-ISOINDOLE-2-BUTANOICACID | SCHEMBL24861548 | NSC 14348 | NSC138029 | IL00Z9WFM8 | N-p-methoxyphenylphthalimide | 4,5-

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504755704

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755704

Sorrisos canónicos

C1=C(C(=NC=N1)N)N

IUPAC Name

pyrimidine-4,5-diamine

InChIKey

PPAULTVPKLVLII-UHFFFAOYSA-N

INCHI

1S/C4H6N4/c5-3-1-7-2-8-4(3)6/h1-2H,5H2,(H2,6,7,8)

SMILES isoméricas

C1=C(C(=NC=N1)N)N

WGK Alemanha

3

Peso molecular

110.12

Beilstein

112646

Reaxy-Rn

112646

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112646&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: Aminopyrimidines and derivatives
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached 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

• Sensibilidade: Air sensitive
• Ponto de ebulição (°C): 229 °C/32 mmHg
• Ponto de fusão (°C): 204-206°C
• Peso molecular: 110.120 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 110.059 Da
• Monoisotopic Mass: 110.059 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.400
• 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 13754-19-3, the molecular formula is C4H6N4, and the molecular weight is 110.12 g/mol. InChIKey PPAULTVPKLVLII-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.