(S)-4-Hydroxypiperidin-2-one - ≥95% , CAS No.476014-92-3

CAS: 476014-92-3 Cat. No.: S193523 분자식: C₅H₉NO₂ 분자량: 115.13 EC 번호: 894-199-9

GRADE & PURITY ≥95%

Synonyms

(S)-4-HYDROXY-2-PIPERIDINONE | 2-Piperidinone,4-hydroxy-,(4S)- | AMY14353 | SCHEMBL16691770 | GS-6286 | AKOS016842472 | (S)-4-Hydroxypiperidin-2-one | 4-(S)-Hydroxy-2-Piperidinone | MFCD09752973 | 4-Hydroxy-piperidin-2-one | A848714 | DTXSID10473408 | (4S

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

(S)-4-HYDROXY-2-PIPERIDINONE | 2-Piperidinone,4-hydroxy-,(4S)- | AMY14353 | SCHEMBL16691770 | GS-6286 | AKOS016842472 | (S)-4-Hydroxypiperidin-2-one | 4-(S)-Hydroxy-2-Piperidinone | MFCD09752973 | 4-Hydroxy-piperidin-2-one | A848714 | DTXSID10473408 | (4S

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

정식 스마일

C1CNC(=O)CC1O

IUPAC Name

(4S)-4-hydroxypiperidin-2-one

InChIKey

PRCAKTIAKXMBQF-BYPYZUCNSA-N

INCHI

1S/C5H9NO2/c7-4-1-2-6-5(8)3-4/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1

이성체 SMILES

C1CNC(=O)C[C@H]1O

분자량

115.13

Reaxy-Rn

9254902

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9254902&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Delta lactams Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta-lactam - Piperidinone - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as piperidinones. These are compounds containing a piperidine ring which bears a ketone.
• 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

• 분자량: 115.130 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 115.063 Da
• Monoisotopic Mass: 115.063 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 103.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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