1-Isopropyl-4-piperidone - ≥97%(T) , CAS No.5355-68-0

CAS: 5355-68-0 Cat. No.: I157698 分子式: C₈H₁₅NO 分子量: 141.21 EC番号: 226-339-6

GRADE & PURITY ≥97%(T)

Synonyms

1-(1'-METHYLETHYL)-4-PIPERIDONE | AB01696 | NSC-58083 | SY048347 | AS-40733 | NSC-142328 | n-isopropylpiperidin-4-one | 1-propan-2-ylpiperidin-4-one | FT-0646297 | TRIETHYLENETETRAMINE-N,N,N,N,N,N-HEXAACETICACID | 1-Isopropyl-4-piperidinone | BBL027936 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

1-(1'-METHYLETHYL)-4-PIPERIDONE | AB01696 | NSC-58083 | SY048347 | AS-40733 | NSC-142328 | n-isopropylpiperidin-4-one | 1-propan-2-ylpiperidin-4-one | FT-0646297 | TRIETHYLENETETRAMINE-N,N,N,N,N,N-HEXAACETICACID | 1-Isopropyl-4-piperidinone | BBL027936 |

仕様と純度

≥97%(T)

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%(T)

名前と識別子

パブケム・シド

504755363

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504755363

カノニカル・スマイル

CC(C)N1CCC(=O)CC1

IUPAC Name

1-propan-2-ylpiperidin-4-one

InChIKey

CCDBCHAQIXKJCG-UHFFFAOYSA-N

INCHI

1S/C8H15NO/c1-7(2)9-5-3-8(10)4-6-9/h7H,3-6H2,1-2H3

異性体SMILES

CC(C)N1CCC(=O)CC1

分子量

141.21

Reaxy-Rn

107857

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107857&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Piperidines
• Subclass: Piperidinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinones
• Alternative Parents: Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperidinone - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Air sensitive
• 屈折率: 1.46
• 引火点（°C）: 77 °C
• 沸点（°C）: 101 °C/27 mmHg
• 分子量: 141.210 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.115 Da
• Monoisotopic Mass: 141.115 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 121.000
• 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

よくある質問

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5355-68-0, the molecular formula is C8H15NO, and the molecular weight is 141.21 g/mol. InChIKey CCDBCHAQIXKJCG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.