(4-((2,5-Dihydro-1H-pyrrol-1-yl)methyl)phenyl)(3,4-dimethylphenyl)methanone - ≥95% , CAS No.898764-22-2

CAS: 898764-22-2 Cat. No.: D1253274 Peso molecular: 291.394 PubChem CID: 24724636
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1g
D1253274-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
968,90US$
2g
D1253274-2g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
1.757,90US$
5g
D1253274-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
3.450,90US$
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CC=CC3)C
IUPAC Name[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-(3,4-dimethylphenyl)methanone
InChIKeyALWQETUJWSDKFS-UHFFFAOYSA-N
INCHI1S/C20H21NO/c1-15-5-8-19(13-16(15)2)20(22)18-9-6-17(7-10-18)14-21-11-3-4-12-21/h3-10,13H,11-12,14H2,1-2H3
Isómeros SMILES CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)CN3CC=CC3)C
PubChem CID 24724636
Peso molecular 291.394

Documentation

📋 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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzophenones
Intermediate Tree Nodes Not available
Direct ParentBenzophenones
Alternative Parents Diphenylmethanes  Aryl-phenylketones  o-Xylenes  Phenylmethylamines  Benzylamines  Benzoyl derivatives  Aralkylamines  Pyrrolines  Trialkylamines  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoyl - Benzylamine - O-xylene - Xylene - Phenylmethylamine - Aryl ketone - Aralkylamine - Pyrroline - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular291.400 g/mol
XLogP34.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass291.162 Da
Monoisotopic Mass291.162 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count22
Formal Charge0
Complexity400.000
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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