4,6-Diaminopyrimidine - ≥98% , CAS No.2434-56-2

CAS: 2434-56-2 Cat. No.: D123503 Summenformel: C₄H₆N₄ Molekulargewicht: 110.12 Beilstein Registry Number: 25(5)12,63 EG-Nummer: 679-734-4

GRADE & PURITY ≥98%

Synonyms

4,6-Pyrimidinediamine | AC-891 | DTXSID00275776 | 4,6-Pyrimidinediamine | AC-907/25014027 | F3329-0413 | GS-6523 | 4,6-Diaminopyrimidine | AKOS001448746 | pyrimidine-4,6-diamine | D3648 | FT-0600946 | NSC211429 | NSC-211429 | SB55488 | Pyrimidine, 4,6-dia

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4,6-Pyrimidinediamine | AC-891 | DTXSID00275776 | 4,6-Pyrimidinediamine | AC-907/25014027 | F3329-0413 | GS-6523 | 4,6-Diaminopyrimidine | AKOS001448746 | pyrimidine-4,6-diamine | D3648 | FT-0600946 | NSC211429 | NSC-211429 | SB55488 | Pyrimidine, 4,6-dia

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755389

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755389

Kanonisches Lächeln

C1=C(N=CN=C1N)N

IUPAC Name

pyrimidine-4,6-diamine

InChIKey

MISVBCMQSJUHMH-UHFFFAOYSA-N

INCHI

1S/C4H6N4/c5-3-1-4(6)8-2-7-3/h1-2H,(H4,5,6,7,8)

Isomere SMILES

C1=C(N=CN=C1N)N

Molekulargewicht

110.12

Beilstein

25(5)12,63

Reaxy-Rn

110699

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110699&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 271°C
• Molekulargewicht: 110.120 g/mol
• XLogP3: -0.500
• 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: 66.400
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 2434-56-2, the molecular formula is C4H6N4, and the molecular weight is 110.12 g/mol. InChIKey MISVBCMQSJUHMH-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.