3-Cyclohexylpyrrolidine - ≥95% , CAS No.78813-85-1

CAS: 78813-85-1 Cat. No.: C708589 Molecular Weight: 153.26 EC Number: 108-646-6 PubChem CID: 3159730
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Storage
Protected from light,Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
C708589-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$67.90
1g
C708589-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$589.90
250mg
C708589-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$219.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C,Argon charged Ships Ice chest + Ice pads 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
≥95%
Storage
Protected from light, Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥95%
Names and Identifiers
Canonical SmilesC1CCC(CC1)C2CCNC2
IUPAC Name3-cyclohexylpyrrolidine
InChIKeyPJQCUMVGSKEOMN-UHFFFAOYSA-N
INCHI1S/C10H19N/c1-2-4-9(5-3-1)10-6-7-11-8-10/h9-11H,1-8H2
Isomeric SMILES C1CCC(CC1)C2CCNC2
PubChem CID 3159730
Molecular Weight 153.26

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
ClassPyrrolidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrrolidines
Alternative Parents Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents Pyrrolidine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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:
Chemical and Physical Properties
Molecular Weight153.260 g/mol
XLogP32.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass153.152 Da
Monoisotopic Mass153.152 Da
Topological Polar Surface Area12.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity116.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
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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