Guanidine, N,N'-bis(4-methylphenyl)- , CAS No.54116-98-2

CAS: 54116-98-2 Cat. No.: G667899 Molecular Weight: 239.32
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Synonyms
Guanidine, N,N'-bis(4-methylphenyl)- | N,N'-Bis(4-methylphenyl)guanidine | N,N'-Ditolylguanidine | Guanidine, N,N'-bis(methylphenyl)- | Di-p-tolylguanidine | BRN 2652030 | GUANIDINE, 1,3-DI-p-TOLYL- | Di-p-tolylguanidin | 2-12-00-00513 (Beilstein Handbook
Storage
Room temperature
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Size
Status
Price
Qty
1mg
G667899-1mg
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$571.90

$999.90
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5mg
G667899-5mg
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$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.

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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

Synonyms
Guanidine, N, N'-bis(4-methylphenyl)- | N, N'-Bis(4-methylphenyl)guanidine | N, N'-Ditolylguanidine | Guanidine, N, N'-bis(methylphenyl)- | Di-p-tolylguanidine | BRN 2652030 | GUANIDINE, 1, 3-DI-p-TOLYL- | Di-p-tolylguanidin | 2-12-00-00513 (Beilstein Handbook
Storage
Room temperature
Product Properties
ALogP3.1
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)N
IUPAC Name1,2-bis(4-methylphenyl)guanidine
InChIKeyFXQVBOJLSKRNLL-UHFFFAOYSA-N
INCHI1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
Isomeric SMILES CC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)N
Molecular Weight 239.32
Reaxy-Rn 6768703
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6768703&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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassToluenes
Intermediate Tree Nodes Not available
Direct ParentToluenes
Alternative Parents Guanidines  Propargyl-type 1,3-dipolar organic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Toluene - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
SIGMAR1 Tclin Sigma non-opioid intracellular receptor 1 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Associated Targets(non-human)
Sigmar1 Sigma opioid receptor (160 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Scn2a Sodium channel protein type II alpha subunit (191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIGMAR1 Sigma-1 receptor (3326 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Grin1 Glutamate NMDA receptor (6467 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 Weight239.320 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass239.142 Da
Monoisotopic Mass239.142 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count18
Formal Charge0
Complexity271.000
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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