N-Benzyltropinone - ≥95% , CAS No.28957-72-4

CAS: 28957-72-4 Cat. No.: B115344 Molecular Weight: 215.29 EC Number: 249-329-3
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
3-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy- | A819692 | J-500369 | PB27437 | 8-AZABICYCLO[3.2.1]OCTAN-3-ONE, 8-(PHENYLMETHYL)- | EN300-75037 | FT-0600826 | MFCD00151640 | F2113-0623 | SY001229 | NCGC00180719-01 | RSUHKGOVXMXCND-UHFFFAOYSA-N | 8-(Phenylmethyl)-8
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B115344-1g
5
$9.90
5g
B115344-5g
2
$22.90
10g
B115344-10g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$44.90
25g
B115344-25g
2
$81.90
100g
B115344-100g
2
$301.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥95% 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
3-((2S, 3R, 4S, 5R, 6R)-3, 4, 5-trihydroxy- | A819692 | J-500369 | PB27437 | 8-AZABICYCLO[3.2.1]OCTAN-3-ONE, 8-(PHENYLMETHYL)- | EN300-75037 | FT-0600826 | MFCD00151640 | F2113-0623 | SY001229 | NCGC00180719-01 | RSUHKGOVXMXCND-UHFFFAOYSA-N | 8-(Phenylmethyl)-8
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid488187617
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488187617
Canonical SmilesC1CC2CC(=O)CC1N2CC3=CC=CC=C3
IUPAC Name8-benzyl-8-azabicyclo[3.2.1]octan-3-one
InChIKeyRSUHKGOVXMXCND-UHFFFAOYSA-N
INCHI1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2
Isomeric SMILES C1CC2CC(=O)CC1N2CC3=CC=CC=C3
Molecular Weight 215.29
Reaxy-Rn 143602
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143602&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
SuperclassOrganoheterocyclic compounds
ClassPiperidines
SubclassBenzylpiperidines
Intermediate Tree Nodes Not available
Direct ParentN-benzylpiperidines
Alternative Parents Tropane alkaloids  Phenylmethylamines  Benzylamines  Piperidinones  Aralkylamines  N-alkylpyrrolidines  Trialkylamines  Cyclic ketones  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-benzylpiperidine - Tropane alkaloid - Phenylmethylamine - Benzylamine - Aralkylamine - Piperidinone - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
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:

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

10 results found

Lot NumberCertificate TypeDateItem
H1412144Certificate of AnalysisMar 20, 2026 B115344
C1405084Certificate of AnalysisOct 14, 2025 B115344
A2307237Certificate of AnalysisJul 28, 2022 B115344
A2307241Certificate of AnalysisJul 28, 2022 B115344
A2307242Certificate of AnalysisJul 28, 2022 B115344
A2307249Certificate of AnalysisJul 28, 2022 B115344
A2307260Certificate of AnalysisJul 28, 2022 B115344
A2307261Certificate of AnalysisJul 28, 2022 B115344
B2606216Certificate of AnalysisJul 28, 2022 B115344
C2310791Certificate of AnalysisJul 28, 2022 B115344
Chemical and Physical Properties
Refractive Index1.55
Flash Point(°C)151 °C
Boil Point(°C)124 °C/0.2 mmHg
Molecular Weight215.290 g/mol
XLogP31.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.131 Da
Monoisotopic Mass215.131 Da
Topological Polar Surface Area20.300 Ų
Heavy Atom Count16
Formal Charge0
Complexity254.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.