Creatine monohydrate - ≥98% , CAS No.6020-87-7

CAS: 6020-87-7 Cat. No.: C105702 Molecular Weight: 149.15 Beilstein Registry Number: 7942755 EC Number: 611-954-8

GRADE & PURITY ≥98%

Synonyms

Creatine, monohydrate | 2-(1-Methylguanidino)acetic acid hydrate | Creatine monohydrate | Creatine hydrate | N-Amidinosarcosine Hydrate

Storage

Room temperature

Shipped In

Normal

Overview

Product Describtion:

Creatine monohydrate is an endogenous amino acid derivative that plays an important role in cellular energy, especially in muscle and brain

Specifications

Synonyms

Creatine, monohydrate | 2-(1-Methylguanidino)acetic acid hydrate | Creatine monohydrate | Creatine hydrate | N-Amidinosarcosine Hydrate

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Creatine is a nitrogenous compound that acts as a high-energy reservoir for the rapid regeneration of ATP. Approximately 95% of creatine is found in skeletal muscle, primarily as phosphocreatine. Creatine can be acquired through dietary consumption or for

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488185818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185818
• Canonical Smiles: CN(CC(=O)O)C(=N)N.O
• IUPAC Name: 2-[carbamimidoyl(methyl)amino]acetic acid;hydrate
• InChIKey: MEJYXFHCRXAUIL-UHFFFAOYSA-N
• INCHI: 1S/C4H9N3O2.H2O/c1-7(4(5)6)2-3(8)9;/h2H2,1H3,(H3,5,6)(H,8,9);1H2
• Isomeric SMILES: CN(CC(=O)O)C(=N)N.O
• WGK Germany: 1
• RTECS: MB7706000
• Molecular Weight: 149.15
• Beilstein: 7942755
• Reaxy-Rn: 7942755
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7942755&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Guanidines Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid or derivatives - Guanidine - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

• Solubility: Soluble in water (50 mg/ml). Insoluble in ether.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 292°C
• Molecular Weight: 149.150 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 149.08 Da
• Monoisotopic Mass: 149.08 Da
• Topological Polar Surface Area: 91.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 134.000
• 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. Chenlin Wang, Zhihao Zhang, Zhongying Ma, Zhenzhu Zhou, Junchao Huang, Yuhua Wang.  (2023)  Flame-resistant and tough polyvinyl alcohol film with ultraviolet-absorbing capacity.  JOURNAL OF APPLIED POLYMER SCIENCE,  140  (31): (e54215).  [PMID:] [10.1002/app.54215]

2. Mingfa Sun, Hongchao Jiao, Jingpeng Zhao, Xiaojuan Wang, Haifang Li, Yunlei Zhou, Hai Lin.  (2022)  Research Note: Creatine monohydrate alleviates protein breakdown induced by corticosterone via inhibiting ubiquitin proteasome pathway in chicken myotubes.  POULTRY SCIENCE,      [PMID:36194918] [10.1016/j.psj.2022.102177]

3. Lun Zhao, Li Deng, Qing Zhang, Xue Jing, Meng Ma, Bin Yi, Jing Wen, Chaozhi Ma, Jinxing Tu, Tingdong Fu, Jinxiong Shen.  (2018)  Autophagy contributes to sulfonylurea herbicide tolerance via GCN2-independent regulation of amino acid homeostasis.  Autophagy,      [PMID:29377765] [10.1080/15548627.2017.1407888]