2,4-Diamino-6,7-diisopropylpteridine Phosphate - ≥95% , CAS No.84176-65-8

CAS: 84176-65-8 Cat. No.: D136787 Molecular Weight: 344.31 EC Number: 282-331-2

GRADE & PURITY ≥95%

Synonyms

2,4-DIAMINO-6,7-DIISOPROPYLPTERIDINEPHOSPHATESALT | 3Y998EB9RG | 2,4-Diamino-6,7-diisopropylpteridine phosphate salt, >=98% | 6,7-Diisopropylpteridine-2,4-diamine phosphate | EINECS 282-331-2 | AH10639 phosphate | bis(propan-2-yl)pteridine-2,4-diamine; ph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2, 4-DIAMINO-6, 7-DIISOPROPYLPTERIDINEPHOSPHATESALT | 3Y998EB9RG | 2, 4-Diamino-6, 7-diisopropylpteridine phosphate salt, >=98% | 6, 7-Diisopropylpteridine-2, 4-diamine phosphate | EINECS 282-331-2 | AH10639 phosphate | bis(propan-2-yl)pteridine-2, 4-diamine; ph

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504758213
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758213
• Canonical Smiles: CC(C)C1=NC2=C(N=C(N=C2N=C1C(C)C)N)N.OP(=O)(O)O
• IUPAC Name: 6,7-di(propan-2-yl)pteridine-2,4-diamine;phosphoric acid
• InChIKey: YNQBQYASRYRNRY-UHFFFAOYSA-N
• INCHI: 1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
• Isomeric SMILES: CC(C)C1=NC2=C(N=C(N=C2N=C1C(C)C)N)N.OP(=O)(O)O
• WGK Germany: 3
• Molecular Weight: 344.31
• Reaxy-Rn: 8174636
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8174636&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pteridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pteridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pteridines and derivatives
• Alternative Parents: Aminopyrimidines and derivatives Pyrazines Organic phosphoric acids and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pteridine - Aminopyrimidine - Organic phosphoric acid derivative - Pyrazine - Pyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
• 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

• Molecular Weight: 344.310 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 344.136 Da
• Monoisotopic Mass: 344.136 Da
• Topological Polar Surface Area: 181.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 332.000
• 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: 2

XLogP3

References

1. Zhen He, Jian Xiong, Yongsong Zhang, Fu Liu, Naihe Liu, Junqian Dai, Yongchao Liang, Zheling Zhang, Dongjie Wang, Yu Huang, Qiaogan Liao, Jiang Wang, Jian Zhang.  (2023)  Simultaneous realization of bulk and interface regulation based on 2,4-diamino-6,7-diisopropylpteridine phosphate for efficient and stable inverted perovskite solar cells.  Journal of Materials Chemistry A,  12  (4): (2309-2322).  [PMID:] [10.1039/D3TA06808K]