7-Methylguanine - ≥98%(HPLC) , CAS No.578-76-7

CAS: 578-76-7 Cat. No.: M171074 Formule: C₆H₇N₅O Poids moléculaire: 165.15 Beilstein Registry Number: 174245 Numéro CE: 209-431-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

EINECS 209-431-0 | 2-Amino-7-methylhypoxanthine | 7-MeG | 2-amino-7-methyl-7H-purin-6-ol | 2-imino-7-methyl-1,2,3,7-tetrahydro-6H-purin-6-one | 2-amino-7-methyl-1H-purin-6-one | AKOS040732349 | N(sup 7)-Methylguanine | 2-amino-7-methyl-3H-purin-6-one | D9

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

EINECS 209-431-0 | 2-Amino-7-methylhypoxanthine | 7-MeG | 2-amino-7-methyl-7H-purin-6-ol | 2-imino-7-methyl-1,2,3,7-tetrahydro-6H-purin-6-one | 2-amino-7-methyl-1H-purin-6-one | AKOS040732349 | N(sup 7)-Methylguanine | 2-amino-7-methyl-3H-purin-6-one | D9

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504773241

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504773241

Sourires canoniques

CN1C=NC2=C1C(=O)NC(=N2)N

IUPAC Name

2-amino-7-methyl-1H-purin-6-one

InChIKey

FZWGECJQACGGTI-UHFFFAOYSA-N

INCHI

1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

Isomères SMILES

CN1C=NC2=C1C(=O)NC(=N2)N

WGK Allemagne

3

Poids moléculaire

165.15

Beilstein

174245

Reaxy-Rn

174245

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=174245&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Imidazopyrimidines
      • Subclass Purines and purine derivatives
        • Level5 Purinones
          • Level6 Hypoxanthines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Purinones
• Direct Parent: Hypoxanthines
• Alternative Parents: 6-oxopurines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-oxopurine - Hypoxanthine - Aminopyrimidine - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• External Descriptors: 7-methylguanine

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

Propriétés chimiques et physiques

• Sensibilité: air sensitive
• Poids moléculaire: 165.150 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 165.065 Da
• Monoisotopic Mass: 165.065 Da
• Topological Polar Surface Area: 85.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 250.000
• 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