2,4,5-Trimethylaniline solution - analytical standard , CAS No.137-17-7

CAS: 137-17-7 Cat. No.: T114003 Formula: C9H13N Molecular Weight: 135.21 Beilstein Registry Number: 2352436 EC Number: 205-282-0 PubChem CID: 8717
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
AMY28500 | EINECS 205-282-0 | 2,5-Trimethylanilin | .psi.-Cumidine | DTXCID601398 | HSDB 2908 | AE-562/43286991 | NCI-C02299 | SCHEMBL113803 | Aniline,4,5-trimethyl- | CCRIS 608 | EN300-102801 | 2,4,5-TRIMETHYLANILINE [HSDB] | Pseudokumidin [Czech] | DTXS
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Germany (EU)
USA*
Price
Qty
10mg
T114003-10mg
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2 In stock

€228.13

€296.68
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice 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
AMY28500 | EINECS 205-282-0 | 2,5-Trimethylanilin | .psi.-Cumidine | DTXCID601398 | HSDB 2908 | AE-562/43286991 | NCI-C02299 | SCHEMBL113803 | Aniline,4,5-trimethyl- | CCRIS 608 | EN300-102801 | 2,4,5-TRIMETHYLANILINE [HSDB] | Pseudokumidin [Czech] | DTXS
Specifications & Purity
analytical standard
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Analytical standard
Names and Identifiers
Pubchem Sid528757751
Canonical SmilesCC1=CC(=C(C=C1C)N)C
IUPAC Name2,4,5-trimethylaniline
InChIKeyBMIPMKQAAJKBKP-UHFFFAOYSA-N
INCHI1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3
Isomeric SMILES CC1=CC(=C(C=C1C)N)C
WGK Germany 2
PubChem CID 8717
Molecular Weight 135.21
Beilstein 2352436

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.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassAniline and substituted anilines
Intermediate Tree Nodes Not available
Direct ParentAniline and substituted anilines
Alternative Parents Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors substituted aniline
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 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:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDateItem
E1515025Certificate of AnalysisJul 11, 2024 T114003
Chemical and Physical Properties
Molecular Weight135.210 g/mol
XLogP32.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass135.105 Da
Monoisotopic Mass135.105 Da
Topological Polar Surface Area26.000 Ų
Heavy Atom Count10
Formal Charge0
Complexity111.000
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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