1-benzyl-1,2,3,6-tetrahydropyridine - ≥97% , CAS No.40240-12-8

CAS: 40240-12-8 Cat. No.: B176402 Molecular Weight: 173.25 EC Number: 630-966-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
1-Benzyl-1,2,3,6-tetrahydropyridine-4-D | BDBM50361747 | 1 -benzyl-1,2,3,6-tetrahydropyridine | AB6330 | AM803852 | PD139865 | EN300-93035 | DS-6548 | 1-benzyl-3,6-dihydro-2H-pyridine | MFCD11501660 | 1-benzyl-1,2,5,6-tetrahydropyridine | A848784 | N-Benz
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B176402-1g
5

$22.90

$34.90
Save $12.00 (34.38%)
5g
B176402-5g
5

$36.90

$55.90
Save $19.00 (33.99%)
10g
B176402-10g
2

$45.90

$68.90
Save $23.00 (33.38%)
25g
B176402-25g
2

$92.90

$139.90
Save $47.00 (33.60%)
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

Room temperature Ships Normal 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

Synonyms
1-Benzyl-1, 2, 3, 6-tetrahydropyridine-4-D | BDBM50361747 | 1 -benzyl-1, 2, 3, 6-tetrahydropyridine | AB6330 | AM803852 | PD139865 | EN300-93035 | DS-6548 | 1-benzyl-3, 6-dihydro-2H-pyridine | MFCD11501660 | 1-benzyl-1, 2, 5, 6-tetrahydropyridine | A848784 | N-Benz
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488195756
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488195756
Canonical SmilesC1CN(CC=C1)CC2=CC=CC=C2
IUPAC Name1-benzyl-3,6-dihydro-2H-pyridine
InChIKeySIRJFTFGHZXRRZ-UHFFFAOYSA-N
INCHI1S/C12H15N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-5,7-8H,6,9-11H2
Isomeric SMILES C1CN(CC=C1)CC2=CC=CC=C2
Molecular Weight 173.25
Reaxy-Rn 135297
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135297&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 ParentPhenylmethylamines
Alternative Parents Benzylamines  Aralkylamines  Hydropyridines  Trialkylamines  Azacyclic compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenylmethylamine - Benzylamine - Aralkylamine - Hydropyridine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MAOA Tclin Monoamine oxidase A (11911 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MAOB Tclin Monoamine oxidase B (8835 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.

5 results found

Lot NumberCertificate TypeDateItem
E2331312Certificate of AnalysisMar 16, 2026 B176402
J2226211Certificate of AnalysisAug 11, 2025 B176402
J2226215Certificate of AnalysisAug 11, 2025 B176402
J2226218Certificate of AnalysisAug 11, 2025 B176402
J2226235Certificate of AnalysisAug 11, 2025 B176402
Chemical and Physical Properties
Molecular Weight173.250 g/mol
XLogP32.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass173.12 Da
Monoisotopic Mass173.12 Da
Topological Polar Surface Area3.200 Ų
Heavy Atom Count13
Formal Charge0
Complexity168.000
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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