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1-(3-Methylbutyl)Piperidin-4-One - ≥95%, high purity , CAS No.90890-88-3

COA

Grade & Purity:

≥95%

Cas Number: 90890-88-3
Molecular Weight: 169.27
PubChem CID: 18526276

In stock

Item Number

P729334

Grouped product items
SKU	Size	Availability	Price
P729334-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$472.90
P729334-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$528.90
P729334-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,854.90

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
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

Names and Identifiers

IUPAC Name	1-(3-methylbutyl)piperidin-4-one
INCHI	InChI=1S/C10H19NO/c1-9(2)3-6-11-7-4-10(12)5-8-11/h9H,3-8H2,1-2H3
InChIKey	CYAPBSDGKXPORX-UHFFFAOYSA-N
Smiles	CC(C)CCN1CCC(=O)CC1
Isomeric SMILES	CC(C)CCN1CCC(=O)CC1
PubChem CID	18526276
Molecular Weight	169.27

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	60°/0.3mm
Molecular Weight	169.260 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	169.147 Da
Monoisotopic Mass	169.147 Da
Topological Polar Surface Area	20.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	144.000
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

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