2-{[4-(dimethylamino)phenyl]methylidene}propanedinitrile - ≥90% , CAS No.2826-28-0

CAS: 2826-28-0 Cat. No.: P695761 Molecular Weight: 197.24 EC Number: 684-221-3 PubChem CID: 137736
AVAILABLE TO ORDER
GRADE & PURITY ≥90%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
P695761-5mg
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$336.90
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Why this grade

≥90% 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

Specifications & Purity
≥90%
Storage
Room temperature
Purity
≥90%
Names and Identifiers
Canonical SmilesCN(C)C1=CC=C(C=C1)C=C(C#N)C#N
IUPAC Name2-[[4-(dimethylamino)phenyl]methylidene]propanedinitrile
InChIKeyIYNONQVNLZATDK-UHFFFAOYSA-N
INCHI1S/C12H11N3/c1-15(2)12-5-3-10(4-6-12)7-11(8-13)9-14/h3-7H,1-2H3
Isomeric SMILES CN(C)C1=CC=C(C=C1)C=C(C#N)C#N
PubChem CID 137736
Molecular Weight 197.24

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.

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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
SuperclassOrganic nitrogen compounds
ClassOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Tertiary amines - Tertiary alkylarylamines
Direct ParentDialkylarylamines
Alternative Parents Aniline and substituted anilines  Nitriles  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapt Microtubule-associated protein tau (6 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 Weight197.240 g/mol
XLogP32.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass197.095 Da
Monoisotopic Mass197.095 Da
Topological Polar Surface Area50.800 Ų
Heavy Atom Count15
Formal Charge0
Complexity310.000
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
Solution Calculators
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