2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide , CAS No.531548-34-2

CAS: 531548-34-2 Cat. No.: P668564 Peso molecular: 280.4
Disponible para pedir
Synonyms
2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide | 2-phenyl-N-[2-(pyrrolidin-1-yl)phenyl]acetamide | 2-phenyl-N-[2-(1-pyrrolidinyl)phenyl]acetamide | Oprea1_816609 | MLS000662481 | REGID_for_CID_890442 | HMS1731N19 | HMS2622B19 | BDBM50395496 | STK360141 | A
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
P668564-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
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5mg
P668564-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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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.

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Literature proof

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

Specifications

Sinónimos
2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide | 2-phenyl-N-[2-(pyrrolidin-1-yl)phenyl]acetamide | 2-phenyl-N-[2-(1-pyrrolidinyl)phenyl]acetamide | Oprea1_816609 | MLS000662481 | REGID_for_CID_890442 | HMS1731N19 | HMS2622B19 | BDBM50395496 | STK360141 | A
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP3.3
Nombres e identificadores
Sonrisas canónicasC1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3
IUPAC Name2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
InChIKeyLVPBIJNAMHEKDK-UHFFFAOYSA-N
INCHI1S/C18H20N2O/c21-18(14-15-8-2-1-3-9-15)19-16-10-4-5-11-17(16)20-12-6-7-13-20/h1-5,8-11H,6-7,12-14H2,(H,19,21)
Isómeros SMILES C1CCN(C1)C2=CC=CC=C2NC(=O)CC3=CC=CC=C3
Peso molecular 280.4
Reaxy-Rn 22858717
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22858717&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasePyrrolidines
SubclassPhenylpyrrolidines
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrrolidines
Alternative Parents Phenylacetamides  2'-Aminoanilides  N-arylamides  Dialkylarylamines  Aniline and substituted anilines  Pyrroles  Secondary carboxylic acid amides  Amino acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1-phenylpyrrolidine - 2'-aminoanilide - Phenylacetamide - Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
KCNQ2 Tclin Potassium voltage-gated channel subfamily KQT member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Kcnq2 Voltage-gated potassium channel subunit Kv7.2 (95 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular280.400 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass280.158 Da
Monoisotopic Mass280.158 Da
Topological Polar Surface Area32.299 Ų
Heavy Atom Count21
Formal Charge0
Complexity332.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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