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

CAS: 13027-88-8 Cat. No.: H156960 分子式: C₄H₉NO₂ 分子量: 103.12 Beilstein Registry Number: 3(3)596 EC番号: 235-890-1

グレード＆純度 ≥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

仕様

同義語

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

仕様と純度

≥98%(N)

保管条件

Room temperature

入荷

Normal

純度

≥98%(N)

名前と識別子

パブケム・シド

488186143

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

分子量

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
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Soluble in water
• 沸点（°C）: 260°C(lit.)
• 融点（°C）: 93 °C
• 分子量: 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