Adenine hydrochloride hydrate - ≥98.5%(HPLC) , CAS No.6055-72-7

CAS: 6055-72-7 Cat. No.: A104286 Molecular Weight: 171.59 EC Number: 641-396-0 PubChem CID: 24211900

GRADE & PURITY ≥98.5%(HPLC)

Synonyms

Adenine hydrochloride, 99% | C5H8ClN5O | 3H-Purin-6-amine--hydrogen chloride--water (1/1/1) | 7H-Purin-6-amine HCl H2O | AKOS015895419 | SCHEMBL2428538 | 6-Aminopurinehydrochloridehydrate | AKOS016008857 | D71240 | Adenine monohydrochloride hemihydrate |

Storage

Protected from light,Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

Adenine hydrochloride, 99% | C5H8ClN5O | 3H-Purin-6-amine--hydrogen chloride--water (1/1/1) | 7H-Purin-6-amine HCl H2O | AKOS015895419 | SCHEMBL2428538 | 6-Aminopurinehydrochloridehydrate | AKOS016008857 | D71240 | Adenine monohydrochloride hemihydrate |

Specifications & Purity

≥98.5%(HPLC)

Storage

Protected from light, Argon charged, Desiccated, Room temperature

Shipped In

Normal

Purity

≥98.5%(HPLC)

Names and Identifiers

• Pubchem Sid: 488200614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200614
• Canonical Smiles: C1=NC2=NC=NC(=C2N1)N.O.Cl
• IUPAC Name: 7H-purin-6-amine;hydrate;hydrochloride
• InChIKey: MYRDTAUFFBYTHA-UHFFFAOYSA-N
• INCHI: 1S/C5H5N5.ClH.H2O/c6-4-3-5(9-1-7-3)10-2-8-4;;/h1-2H,(H3,6,7,8,9,10);1H;1H2
• Isomeric SMILES: C1=NC2=NC=NC(=C2N1)N.O.Cl
• WGK Germany: 3
• PubChem CID: 24211900
• Molecular Weight: 171.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• 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

• Sensitivity: Light sensitive.Moisture sensitive.
• Molecular Weight: 189.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 189.042 Da
• Monoisotopic Mass: 189.042 Da
• Topological Polar Surface Area: 81.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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: 3

XLogP3

References

1. Rui Wang, Baifei Hu, Cheng Ye, Zhigang Zhang, Mingzhu Yin, Qiushi Cao, Yuanming Ba, Hongtao Liu.  (2022)  Stewed Rhubarb Decoction Ameliorates Adenine-Induced Chronic Renal Failure in Mice by Regulating Gut Microbiota Dysbiosis.  Frontiers in Pharmacology,      [PMID:35392552] [10.3389/fphar.2022.842720]

2. Jiao Kong, Yujia Chen, Shuanghui Lu, Lvexiang Yuan, Tao He, Minlei Dong, Yingqiong Zhang, Xiaoyi Pan, Hui Zhou, Huidi Jiang.  (2026)  Pollen of Brassica campestris L. ameliorates hyperuricemic and obstructive nephropathy by targeting the β-catenin/TCF4-ferroptosis pathway.  JOURNAL OF ETHNOPHARMACOLOGY,      [PMID:] [10.1016/j.jep.2026.121611]