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

CAS: 5355-68-0 Cat. No.: I157698 Formula: C₈H₁₅NO Molecular Weight: 141.21 EC Number: 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

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 |

Specifications & Purity

≥97%(T)

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 504755363
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755363
• Canonical Smiles: 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
• Isomeric SMILES: CC(C)N1CCC(=O)CC1
• Molecular Weight: 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
    • Class Piperidines
      • Subclass Piperidinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive
• Refractive Index: 1.46
• Flash Point(°C): 77 °C
• Boil Point(°C): 101 °C/27 mmHg
• Molecular Weight: 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

Frequently Asked Questions

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.