(4S,5S)-2-(((4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)amino)-1,3-dimethyl-4,5-diphenyl-4,5-dihydro-1H-imidazol-3-ium chloride - ≥95% , CAS No.1268449-00-8

CAS: 1268449-00-8 Cat. No.: S1263075 EC Number: 822-430-5 PubChem CID: 53235783
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
S1263075-50mg
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$216.90
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Why this grade

≥95% 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

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesCN1C(C(N(C1=NC2=[N+](C(C(N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
IUPAC Name(4S,5S)-N-[(4S,5S)-1,3-dimethyl-4,5-diphenyl-4,5-dihydroimidazol-1-ium-2-yl]-1,3-dimethyl-4,5-diphenylimidazolidin-2-imine;chloride
InChIKeyCVYATYGJOLWHQJ-WYDLTDSDSA-M
INCHI1S/C34H36N5.ClH/c1-36-29(25-17-9-5-10-18-25)30(26-19-11-6-12-20-26)37(2)33(36)35-34-38(3)31(27-21-13-7-14-22-27)32(39(34)4)28-23-15-8-16-24-28;/h5-24,29-32H,1-4H3;1H/q+1;/p-1/t29-,30-,31-,32-;/m0./s1
Isomeric SMILES CN1[C@H]([C@@H](N(C1=NC2=[N+]([C@H]([C@@H](N2C)C3=CC=CC=C3)C4=CC=CC=C4)C)C)C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]
PubChem CID 53235783

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
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Phenylimidazolidines  Benzene and substituted derivatives  Imidazolines  Guanidines  Propargyl-type 1,3-dipolar organic compounds  Carboximidamides  Azacyclic compounds  Organopnictogen compounds  Organic chloride salts  Imines  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Stilbene - Phenylimidazolidine - Monocyclic benzene moiety - Benzenoid - Imidazolidine - 2-imidazoline - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Organic salt - Organonitrogen compound - Imine - Organic chloride salt - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight550.100 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass549.266 Da
Monoisotopic Mass549.266 Da
Topological Polar Surface Area25.100 Ų
Heavy Atom Count40
Formal Charge0
Complexity734.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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