(3S)-3-Amino-N-Cyclopropyl-2-Hydroxyhexanamide Hydrochloride - ≥98% , CAS No.850252-34-5

CAS: 850252-34-5 Cat. No.: A734590 Summenformel: C₉H₁₉ClN₂O₂ Molekulargewicht: 222.71 EG-Nummer: 617-658-5 PubChem CID: 66656935

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CCCC(C(C(=O)NC1CC1)O)N.Cl

IUPAC Name

(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide;hydrochloride

InChIKey

LMSDLVWKLIICSU-JPPWUZRISA-N

INCHI

1S/C9H18N2O2.ClH/c1-2-3-7(10)8(12)9(13)11-6-4-5-6;/h6-8,12H,2-5,10H2,1H3,(H,11,13);1H/t7-,8?;/m0./s1

Isomere SMILES

CCC[C@@H](C(C(=O)NC1CC1)O)N.Cl

PubChem CID

66656935

Molekulargewicht

222.71

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 Beta 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: Beta amino acids and derivatives
• Alternative Parents: N-acyl amines Monosaccharides Secondary carboxylic acid amides Secondary alcohols Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Beta amino acid or derivatives - Fatty amide - Monosaccharide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Hydrochloride - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 222.710 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 222.114 Da
• Monoisotopic Mass: 222.114 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 180.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 1
• 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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 850252-34-5, the molecular formula is C9H19ClN2O2, and the molecular weight is 222.71 g/mol. InChIKey LMSDLVWKLIICSU-JPPWUZRISA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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.