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

CAS: 13027-88-8 Cat. No.: H156960 분자식: C₄H₉NO₂ 분자량: 103.12 Beilstein Registry Number: 3(3)596 EC 번호: 235-890-1

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%(N)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(N)

이름과 식별자

Pubchem Sid

488186143

Pubchem Sid Url

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

정식 스마일

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)

이성체 SMILES

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

분자량

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
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water
• 끓는점(°C): 260°C(lit.)
• 녹는점(°C): 93 °C
• 분자량: 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