N-Benzyl-4-methylaniline - ≥97% , CAS No.5405-15-2

CAS: 5405-15-2 Cat. No.: N694662 Molecular Weight: 197.27 EC Number: 226-455-7
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
N694662-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$25.90
250mg
N694662-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$99.90
1g
N694662-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$277.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

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
≥97%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥97%
Names and Identifiers
Canonical SmilesCC1=CC=C(C=C1)NCC2=CC=CC=C2
IUPAC NameN-benzyl-4-methylaniline
InChIKeyKEVOWRWHMCBERP-UHFFFAOYSA-N
INCHI1S/C14H15N/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
Isomeric SMILES CC1=CC=C(C=C1)NCC2=CC=CC=C2
Molecular Weight 197.27
Reaxy-Rn 1872168
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1872168&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylmethylamines
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzamines
Alternative Parents Phenylalkylamines  Benzylamines  Aniline and substituted anilines  Aminotoluenes  Secondary alkylarylamines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Phenylbenzamine - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Benzylamine - Aralkylamine - Toluene - Secondary aliphatic/aromatic amine - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylbenzamines. These are aromatic compounds consisting of a benzyl group that is N-linked to a benzamine.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LNCaP (8286 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HTT Tchem Huntingtin (19182 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
L929 (3802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 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
Sensitivityair sensitive
Flash Point(°C)153 °C
Boil Point(°C)313 °C
Molecular Weight197.270 g/mol
XLogP33.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass197.12 Da
Monoisotopic Mass197.12 Da
Topological Polar Surface Area12.000 Ų
Heavy Atom Count15
Formal Charge0
Complexity164.000
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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