7-Hydroxy DAMPA - ≥95% , CAS No.34698-85-6

CAS: 34698-85-6 Cat. No.: H957222 PubChem CID: 29981388

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)O
• IUPAC Name: 4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoic acid
• InChIKey: VHQQBESFTXCNQV-UHFFFAOYSA-N
• INCHI: 1S/C15H15N7O3/c1-22(8-4-2-7(3-5-8)14(24)25)6-9-13(23)20-12-10(18-9)11(16)19-15(17)21-12/h2-5H,6H2,1H3,(H,24,25)(H5,16,17,19,20,21,23)
• Isomeri SMILES: CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)O
• CAS alternativo: 34698-85-6
• PubChem CID: 29981388

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pteridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pteridines and derivatives
• Alternative Parents: Aminobenzoic acids Benzoic acids Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Pyrazines Imidolactams Heteroaromatic compounds Lactams Amino acids Carboxylic acids Azacyclic compounds Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminobenzoic acid - Aminobenzoic acid or derivatives - Pteridine - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyrimidine - Aralkylamine - Monocyclic benzene moiety - Pyrazine - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid - Lactam - Tertiary amine - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organonitrogen compound - Amine - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 341.320 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 341.124 Da
• Monoisotopic Mass: 341.124 Da
• Topological Polar Surface Area: 160.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 561.000
• 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