2-Hydroxyisobutyramide - ≥98%(N) , CAS No.13027-88-8

CAS: 13027-88-8 Cat. No.: H156960 Summenformel: C₄H₉NO₂ Molekulargewicht: 103.12 Beilstein Registry Number: 3(3)596 EG-Nummer: 235-890-1

QUALITÄT & REINHEIT ≥98%(N)

Synonyms

AC8009 | FT-0636776 | 2-Methyl-2-hydroxypropionamide | EINECS 235-890-1 | MFCD08063365 | 2-hydroxy-2-methylpropanamide | J-005779 | 2-Hydroxy isobutyric acid, amide | alpha-hydroxyisobutyramide | alpha-hydroxy-isobutyramide | AKOS011506931 | H1181 | EN300

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

AC8009 | FT-0636776 | 2-Methyl-2-hydroxypropionamide | EINECS 235-890-1 | MFCD08063365 | 2-hydroxy-2-methylpropanamide | J-005779 | 2-Hydroxy isobutyric acid, amide | alpha-hydroxyisobutyramide | alpha-hydroxy-isobutyramide | AKOS011506931 | H1181 | EN300

Spezifikationen & Reinheit

≥98%(N)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(N)

Namen und Kennungen

Pubchem Sid

488186143

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186143

Kanonisches Lächeln

CC(C)(C(=O)N)O

IUPAC Name

2-hydroxy-2-methylpropanamide

InChIKey

DRYMMXUBDRJPDS-UHFFFAOYSA-N

INCHI

1S/C4H9NO2/c1-4(2,7)3(5)6/h7H,1-2H3,(H2,5,6)

Isomere SMILES

CC(C)(C(=O)N)O

Molekulargewicht

103.12

Beilstein

3(3)596

Reaxy-Rn

506495

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506495&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Tertiary alcohols
• Alternative Parents: Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tertiary alcohol - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tertiary alcohols. These are compounds in which a hydroxy group, -OH, is attached to a saturated carbon atom R3COH (R not H ).
• 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

• Löslichkeit: Soluble in water
• Siedepunkt (°C): 260°C(lit.)
• Schmelzpunkt (°C): 93 °C
• Molekulargewicht: 103.120 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 103.063 Da
• Monoisotopic Mass: 103.063 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• 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