5-Ethyl-5-methylhydantoin - ≥97% , CAS No.5394-36-5

CAS: 5394-36-5 Cat. No.: E469325 분자식: C₆H₁₀N₂O₂ 분자량: 142.16 EC 번호: 226-402-8

GRADE & PURITY ≥97%

Synonyms

AKOS000120926 | WLN: T5MVMV EHJ E2 E1 | 9434G2C47P | 5-Ethyl-5-methyl-imidazolidine-2,4-dione | 5-Ethyl-5-methylimidazolidine-2,4-dione | 5-Methyl-5-ethylhydantoin | 5-methyl-5-ethyl-hydantoin | 2,4-Imidazolidinedione, 5-ethyl-5-methyl- | NCGC00255459-01

Storage

Room temperature

개요

Description

Reactant for synthesis of nociceptin/orphanin FQ analogues

Specifications

동의어

AKOS000120926 | WLN: T5MVMV EHJ E2 E1 | 9434G2C47P | 5-Ethyl-5-methyl-imidazolidine-2,4-dione | 5-Ethyl-5-methylimidazolidine-2,4-dione | 5-Methyl-5-ethylhydantoin | 5-methyl-5-ethyl-hydantoin | 2,4-Imidazolidinedione, 5-ethyl-5-methyl- | NCGC00255459-01

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

이름과 식별자

Pubchem Sid

488186060

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186060

정식 스마일

CCC1(C(=O)NC(=O)N1)C

IUPAC Name

5-ethyl-5-methylimidazolidine-2,4-dione

InChIKey

VSJRBQDMBFFHMC-UHFFFAOYSA-N

INCHI

1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)

이성체 SMILES

CCC1(C(=O)NC(=O)N1)C

분자량

142.16

Reaxy-Rn

81952

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azolidines
      • Subclass Imidazolidines
        • Level5 Imidazolidinones
          • Level6 Imidazolidinediones
            • Level7 Hydantoins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Imidazolidinones - Imidazolidinediones
• Direct Parent: Hydantoins
• Alternative Parents: Alpha amino acids and derivatives 5-monosubstituted hydantoins N-acyl ureas Dicarboximides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Hydantoin - Alpha-amino acid or derivatives - 5-monosubstituted hydantoin - N-acyl urea - Ureide - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
• 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

• 발화점(°F): Not applicable
• 발화점(°C): Not applicable
• 녹는점(°C): 144-150℃ (lit.)
• 분자량: 142.160 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.074 Da
• Monoisotopic Mass: 142.074 Da
• Topological Polar Surface Area: 58.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 190.000
• 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