4-Hydroxy-2-pyrrolidone - ≥98% , CAS No.25747-41-5

CAS: 25747-41-5 Cat. No.: H183207 分子式: C₄H₇NO₂ 分子量: 101.1 EC番号: 818-421-0

GRADE & PURITY ≥98%

Synonyms

Viride Malachitum | FT-0605102 | AB05836 | 4-Hydroxy-2-pyrrolidone | Tert-Butyl[4-(2-aminoethyl)phenyl]acetate | ISFHAYSTHMVOJR-UHFFFAOYSA-N | BCP07569 | PB23182 | (+-)-4-Hydroxy-2-pyrrolidinone | 2-Pyrrolidinone, 4-hydroxy- | 2-Pyrrolidinone, 4-hydroxy-;

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Viride Malachitum | FT-0605102 | AB05836 | 4-Hydroxy-2-pyrrolidone | Tert-Butyl[4-(2-aminoethyl)phenyl]acetate | ISFHAYSTHMVOJR-UHFFFAOYSA-N | BCP07569 | PB23182 | (+-)-4-Hydroxy-2-pyrrolidinone | 2-Pyrrolidinone, 4-hydroxy- | 2-Pyrrolidinone, 4-hydroxy-;

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488188253

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488188253

カノニカル・スマイル

C1C(CNC1=O)O

IUPAC Name

4-hydroxypyrrolidin-2-one

InChIKey

IOGISYQVOGVIEU-UHFFFAOYSA-N

INCHI

1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)

異性体SMILES

C1C(CNC1=O)O

分子量

101.1

Reaxy-Rn

107668

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107668&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyrrolidines
      • Subclass Pyrrolidones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyrrolidines
• Subclass: Pyrrolidones
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidine-2-ones
• Alternative Parents: Secondary carboxylic acid amides Secondary alcohols Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 2-pyrrolidone - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrrolidine-2-ones. These are pyrrolidines which bear a C=O group at position 2 of the pyrrolidine ring.
• 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

• 感度: light sensitive
• 融点（°C）: 121 °C
• 分子量: 101.100 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 101.048 Da
• Monoisotopic Mass: 101.048 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 91.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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