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1-(5-Bromo-2-pyridinyl)-4-piperidinol , CAS No.149806-52-0

COA

Cas Number: 149806-52-0
Molecular Weight: 257.14
PubChem CID: 21897837

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Item Number

P730248

Grouped product items
SKU	Size	Availability	Price	Qty
P730248-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$588.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Tertiary alkylarylamines
        Level7 Dialkylarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines - Tertiary alkylarylamines
Direct Parent	Dialkylarylamines
Alternative Parents	Aminopyridines and derivatives Piperidines Imidolactams Aryl bromides Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Dialkylarylamine - Aminopyridine - Aryl bromide - Aryl halide - Piperidine - Pyridine - Imidolactam - Heteroaromatic compound - Secondary alcohol - Organoheterocyclic compound - Azacycle - Alcohol - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
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-(5-bromopyridin-2-yl)piperidin-4-ol
INCHI	InChI=1S/C10H13BrN2O/c11-8-1-2-10(12-7-8)13-5-3-9(14)4-6-13/h1-2,7,9,14H,3-6H2
InChIKey	LSGWHPYPLCIXCK-UHFFFAOYSA-N
Smiles	C1CN(CCC1O)C2=NC=C(C=C2)Br
Isomeric SMILES	C1CN(CCC1O)C2=NC=C(C=C2)Br
PubChem CID	21897837
Molecular Weight	257.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	257.130 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	256.021 Da
Monoisotopic Mass	256.021 Da
Topological Polar Surface Area	36.400 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	183.000
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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