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Jnj-37822681 , CAS No.935776-74-2

Name: Jnj-37822681 , CAS No.935776-74-2
SKU: J1063643
Availability: InStock

CAS: 935776-74-2 Cat. No.: J1063643 Formula: C₁₇H₁₇F₅N₄ Peso molecolare: 372.34 PubChem CID: 16058752

COA

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Storage

Room temperature

Specifications Proprietà del prodotto Nomi e identificatori Documentazione Advanced Data Taxonomic Classification Struttura 3D Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni

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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

3.4

Nomi e identificatori

Sorrisi canonici

C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F

IUPAC Name

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyridazin-3-amine

InChIKey

UVUYWJWYRLJHEN-UHFFFAOYSA-N

INCHI

1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)

Isomeri SMILES

C1CN(CCC1NC2=NN=C(C=C2)C(F)(F)F)CC3=CC(=C(C=C3)F)F

CAS alternativo

935776-74-2

PubChem CID

16058752

Termini MeSH

JNJ-37822681;N-(1-(3,4-difluorobenzyl)piperidin-4-yl)-6-(trifluoromethyl)pyridazin-3-amine

Peso molecolare

372.34

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Piperidines
    - Subclass Benzylpiperidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Piperidines
Subclass	Benzylpiperidines
Intermediate Tree Nodes	Not available
Direct Parent	N-benzylpiperidines
Alternative Parents	Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Aminopyridazines Imidolactams Aryl fluorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	N-benzylpiperidine - Benzylamine - Phenylmethylamine - Aminopyridazine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyridazine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Organofluoride - Organonitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
Descrizione	This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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

Struttura 3D

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

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

Analytical Chart:

Proprietà chimiche e fisiche

Peso molecolare	372.340 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Exact Mass	372.137 Da
Monoisotopic Mass	372.137 Da
Topological Polar Surface Area	41.100 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	441.000
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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Recensioni

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