(3S)-3-Amino-N-cyclopropyl-2-hydroxyhexanamide - ≥98% , CAS No.402960-19-4

CAS: 402960-19-4 Cat. No.: S1072422 Formule: C₉H₁₈N₂O₂ Poids moléculaire: 186.25 PubChem CID: 23634853

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

IUPAC Name

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

InChIKey

DRNGSSWBFKDSEE-JAMMHHFISA-N

INCHI

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

Isomères SMILES

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

PubChem CID

23634853

Poids moléculaire

186.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: 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 Organopnictogen compounds Organic oxides Monoalkylamines 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 - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 186.250 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 186.137 Da
• Monoisotopic Mass: 186.137 Da
• Topological Polar Surface Area: 75.400 Ų
• Heavy Atom Count: 13
• 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: 1

Foire aux questions

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 are the CAS number, molecular formula and molecular weight?

The CAS Number is 402960-19-4, the molecular formula is C9H18N2O2, and the molecular weight is 186.25 g/mol. InChIKey DRNGSSWBFKDSEE-JAMMHHFISA-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.