Creatinine hydrochloride - ≥97% , CAS No.19230-81-0

CAS: 19230-81-0 Cat. No.: C349644 Summenformel: C₄H₈ClN₃O Molekulargewicht: 149.58 EG-Nummer: 242-898-9

GRADE & PURITY ≥97%

Synonyms

CREATININE HCL | Creatinine hydrochloride, p.a., 99% | 2-amino-3-methyl-4H-imidazol-5-one;hydrochloride | 2-Amino-1-methyl-1H-imidazol-4(5H)-onehydrochloride | 2-Amino-1-methyl-2-imidazolin-4-one hydrochloride | SMR000875220 | MLS001332628 | SCHEMBL124128

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

CREATININE HCL | Creatinine hydrochloride, p.a., 99% | 2-amino-3-methyl-4H-imidazol-5-one;hydrochloride | 2-Amino-1-methyl-1H-imidazol-4(5H)-onehydrochloride | 2-Amino-1-methyl-2-imidazolin-4-one hydrochloride | SMR000875220 | MLS001332628 | SCHEMBL124128

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504755914
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755914
• Kanonisches Lächeln: CN1CC(=O)N=C1N.Cl
• IUPAC Name: 2-amino-3-methyl-4H-imidazol-5-one;hydrochloride
• InChIKey: PJYONPGZTHDDJM-UHFFFAOYSA-N
• INCHI: 1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
• Isomere SMILES: CN1CC(=O)N=C1N.Cl
• WGK Deutschland: 3
• Molekulargewicht: 149.58
• Reaxy-Rn: 3913453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3913453&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Ebene5 Amino acids and derivatives
          • Ebene6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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: Imidazolinones N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Imidazolinone - 2-imidazoline - Guanidine - N-acylimine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrochloride - Organopnictogen compound - Aliphatic heteromonocyclic compound
• Beschreibung: 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

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ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 149.580 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 149.036 Da
• Monoisotopic Mass: 149.036 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 151.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19230-81-0, the molecular formula is C4H8ClN3O, and the molecular weight is 149.58 g/mol. InChIKey PJYONPGZTHDDJM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.