Name: 4-ethynylpiperidin-4-ol - ≥97% , CAS No.134701-51-2
SKU: E628422
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Klasse	Piperidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Piperidines
Alternative Parents	Ynones Tertiary alcohols Dialkylamines Azacyclic compounds Acetylides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Ynone - Piperidine - Tertiary alcohol - Acetylide - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aliphatic heteromonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as piperidines. These are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
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

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	125.170 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.084 Da
Monoisotopic Mass	125.084 Da
Topological Polar Surface Area	32.299 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	138.000
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

Lösungsrechner

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Bewertungen

Kanonisches Lächeln	C#CC1(CCNCC1)O
IUPAC Name	4-ethynylpiperidin-4-ol
InChIKey	GVZFMFFUAZKMOB-UHFFFAOYSA-N
INCHI	1S/C7H11NO/c1-2-7(9)3-5-8-6-4-7/h1,8-9H,3-6H2
Isomere SMILES	C#CC1(CCNCC1)O
Alternative CAS-Nummer	134701-51-2
PubChem CID	19895580
Molekulargewicht	125.17

4-ethynylpiperidin-4-ol - ≥97% , CAS No.134701-51-2

Specifications