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1-(3-Hydroxymethylpyridyl-2)-2-phenyl-4-methylpyperazine - 95%, high purity , CAS No.61337-89-1

COA

Grade & Purity:

≥95%

Cas Number: 61337-89-1
Molecular Weight: 283.37
PubChem CID: 10221435

In stock

Item Number

H194195

Grouped product items
SKU	Size	Availability	Price	Qty
H194195-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
H194195-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$146.90

Basic Description

Synonyms	EC 700-296-8 \| F14603 \| [2-[(2RS)-4-Methyl-2-phenyl-piperazin-1-yl]pyridin-3-yl]methanol; Mirtazapine Imp. B (EP); Mirtazapine Impurity B \| FT-0727774 \| [2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol \| 2-(4-Methyl-2-phenylpiperazin-1-yl)pyridin
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	Phenylpiperazines N-arylpiperazines Dialkylarylamines N-methylpiperazines Aralkylamines Aminopyridines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary alcohols Organopnictogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpiperazine - N-arylpiperazine - Pyridinylpiperazine - Dialkylarylamine - Aminopyridine - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
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	[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
INCHI	InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3
InChIKey	PYZPABZGIRHQTA-UHFFFAOYSA-N
Smiles	CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO
Isomeric SMILES	CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO
Molecular Weight	283.37
Reaxy-Rn	930800
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=930800&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	283.370 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	283.168 Da
Monoisotopic Mass	283.168 Da
Topological Polar Surface Area	39.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	319.000
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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