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3-(1H-1，2，4-Triazol-1-yl)piperidine - ≥98%, high purity , CAS No.774511-83-0

COA

Grade & Purity:

≥98%

Cas Number: 774511-83-0
Molecular Weight: 152.2
PubChem CID: 19005989

In stock

Item Number

P729478

Grouped product items
SKU	Size	Availability	Price
P729478-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$306.90
P729478-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$498.90
P729478-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,404.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Piperidines
Alternative Parents	Triazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Piperidine - Heteroaromatic compound - 1,2,4-triazole - Azole - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	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

Names and Identifiers

IUPAC Name	3-(1,2,4-triazol-1-yl)piperidine
INCHI	InChI=1S/C7H12N4/c1-2-7(4-8-3-1)11-6-9-5-10-11/h5-8H,1-4H2
InChIKey	BXSGLNRNBMUCIM-UHFFFAOYSA-N
Smiles	C1CC(CNC1)N2C=NC=N2
Isomeric SMILES	C1CC(CNC1)N2C=NC=N2
PubChem CID	19005989
Molecular Weight	152.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	152.200 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	152.106 Da
Monoisotopic Mass	152.106 Da
Topological Polar Surface Area	42.700 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	128.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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