1-Propyl-4-piperidone - ≥98% , CAS No.23133-37-1

CAS: 23133-37-1 Cat. No.: P103612 Molecular Weight: 141.21 EC Number: 245-444-8

GRADE & PURITY ≥98%

Synonyms

N-PROPYL-4-PIPERIDINONE | BCP23107 | 1-n-Propyl-4-piperidon | 4-Piperidinone, 1-propyl- | FT-0638298 | 1-Propyl-4-piperidone, 98% | F0001-0807 | 3-butyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one | n-Propyl-4-piperidone | 2,4-Hexadienoic acid, eth

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Specifications

Synonyms

N-PROPYL-4-PIPERIDINONE | BCP23107 | 1-n-Propyl-4-piperidon | 4-Piperidinone, 1-propyl- | FT-0638298 | 1-Propyl-4-piperidone, 98% | F0001-0807 | 3-butyl-2-sulfanylidene-1, 2, 3, 4-tetrahydroquinazolin-4-one | n-Propyl-4-piperidone | 2, 4-Hexadienoic acid, eth

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186585
• Canonical Smiles: CCCN1CCC(=O)CC1
• IUPAC Name: 1-propylpiperidin-4-one
• InChIKey: YGDZKYYCJUNORF-UHFFFAOYSA-N
• INCHI: 1S/C8H15NO/c1-2-5-9-6-3-8(10)4-7-9/h2-7H2,1H3
• Isomeric SMILES: CCCN1CCC(=O)CC1
• WGK Germany: 3
• Molecular Weight: 141.21
• Reaxy-Rn: 110297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110297&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

• Refractive Index: 1.461
• Flash Point(°F): 168.8 °F
• Flash Point(°C): 75°C
• Boil Point(°C): 56°C/1mmHg
• Molecular Weight: 141.210 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• 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: 112.000
• 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