3-Hydroxy-N-methylpropanamide - ≥95% , CAS No.6830-81-5

CAS: 6830-81-5 Cat. No.: H589867 Formule: C₄H₉NO₂ Poids moléculaire: 103.12 Numéro CE: 800-721-8

GRADE & PURITY ≥95%

Synonyms

AC6610 | EN300-74513 | SY083761 | 3-hydroxy-N-methylpropanamide | FT-0683729 | Z975909370 | SCHEMBL146293 | 3-hydroxy-N-Methylpropanamide, AldrichCPR | LS-04191 | DTXSID00574211 | MFCD13188569 | AKOS005174208 | Propanamide, 3-hydroxy-N-methyl- | N-methyl-

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonymes

AC6610 | EN300-74513 | SY083761 | 3-hydroxy-N-methylpropanamide | FT-0683729 | Z975909370 | SCHEMBL146293 | 3-hydroxy-N-Methylpropanamide, AldrichCPR | LS-04191 | DTXSID00574211 | MFCD13188569 | AKOS005174208 | Propanamide, 3-hydroxy-N-methyl- | N-methyl-

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Sourires canoniques: CNC(=O)CCO
• IUPAC Name: 3-hydroxy-N-methylpropanamide
• InChIKey: TWOQEKLRIJBDSY-UHFFFAOYSA-N
• INCHI: 1S/C4H9NO2/c1-5-4(7)2-3-6/h6H,2-3H2,1H3,(H,5,7)
• Isomères SMILES: CNC(=O)CCO
• CAS alternatif: 6830-81-5
• Poids moléculaire: 103.12
• Reaxy-Rn: 1098604
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098604&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Secondary carboxylic acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Secondary carboxylic acid amides
• Alternative Parents: Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary carboxylic acid amide - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as secondary carboxylic acid amides. These are compounds containing a secondary carboxylic acid amide functional group, with the general structure RC(=O)N(R')H (R,R'=alkyl, aryl).
• 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: 103.120 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• 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: 1