1H-Inden-1-one, 2-(4-((dimethylamino)phenyl)methylene)-2,3-dihydro- , CAS No.5706-20-7

CAS: 5706-20-7 Cat. No.: H668931 Molecular Weight: 263.3
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Synonyms
N7ZE9B5HYB | 2-(4-(Dimethylamino)benzylidene)-1-indanone | NSC-86428 | NSC636711 | 1H-Inden-1-one, 2-((4-(dimethylamino)phenyl)methylene)-2,3-dihydro- | 2-[4-(Dimethylamino)benzylidene]-1-indanone | (2E)-2-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2,3-DIHYDR
Storage
Room temperature
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Size
Status
Price
Qty
1mg
H668931-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
H668931-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

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

Synonyms
N7ZE9B5HYB | 2-(4-(Dimethylamino)benzylidene)-1-indanone | NSC-86428 | NSC636711 | 1H-Inden-1-one, 2-((4-(dimethylamino)phenyl)methylene)-2, 3-dihydro- | 2-[4-(Dimethylamino)benzylidene]-1-indanone | (2E)-2-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}-2, 3-DIHYDR
Storage
Room temperature
Product Properties
ALogP3.9
Names and Identifiers
Canonical SmilesCN(C)C1=CC=C(C=C1)C=C2CC3=CC=CC=C3C2=O
IUPAC Name(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-3H-inden-1-one
InChIKeyYCKZAOPKIOWTEH-RVDMUPIBSA-N
INCHI1S/C18H17NO/c1-19(2)16-9-7-13(8-10-16)11-15-12-14-5-3-4-6-17(14)18(15)20/h3-11H,12H2,1-2H3/b15-11+
Isomeric SMILES CN(C)C1=CC=C(C=C1)/C=C/2\CC3=CC=CC=C3C2=O
Molecular Weight 263.3
Reaxy-Rn 2941386
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941386&ln=

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.

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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
SuperclassBenzenoids
ClassIndanes
SubclassIndanones
Intermediate Tree Nodes Not available
Direct ParentIndanones
Alternative Parents Dialkylarylamines  Aryl ketones  Aniline and substituted anilines  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homopolycyclic compounds
Substituents Indanone - Tertiary aliphatic/aromatic amine - Aryl ketone - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Ketone - Tertiary amine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOB Tclin Amine oxidase [flavin-containing] B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLT-4 (49676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
L1210 (27553 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P388 (20296 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight263.300 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass263.131 Da
Monoisotopic Mass263.131 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count20
Formal Charge0
Complexity390.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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