Methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate , CAS No.127379-24-2

CAS: 127379-24-2 Cat. No.: M668321 Molecular Weight: 181.23 PubChem CID: 592280
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Synonyms
methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate | Methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate | Anhydromethylecgonine | Methyl Ecgonidine | Ecgonidine, methyl ester | Anhydroecgonine methylester | DTXSID70343794 | BDBM50064614 |
Storage
Room temperature
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Size
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Qty
1mg
M668321-1mg
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$571.90

$999.90
Save $428.00 (42.80%)
5mg
M668321-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
methyl 8-methyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate | Methyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate | Anhydromethylecgonine | Methyl Ecgonidine | Ecgonidine, methyl ester | Anhydroecgonine methylester | DTXSID70343794 | BDBM50064614 |
Storage
Room temperature
Product Properties
ALogP1.1
Names and Identifiers
Canonical SmilesCN1C2CCC1C(=CC2)C(=O)OC
IUPAC Namemethyl 8-methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
InChIKeyMPSNEAHFGOEKBI-UHFFFAOYSA-N
INCHI1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3
Isomeric SMILES CN1C2CCC1C(=CC2)C(=O)OC
PubChem CID 592280
Molecular Weight 181.23

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
SuperclassOrganoheterocyclic compounds
ClassPyrrolidines
SubclassN-alkylpyrrolidines
Intermediate Tree Nodes Not available
Direct ParentN-alkylpyrrolidines
Alternative Parents Methyl esters  Enoate esters  Trialkylamines  Amino acids and derivatives  Monocarboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents N-alkylpyrrolidine - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-alkylpyrrolidines. These are compounds containing a pyrrolidine moiety that is substituted at the N1-position with an alkyl group. Pyrrolidine 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





Associated Targets(Human)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Monoclonal antibody (mAb) 2E2 (49 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
Molecular Weight181.230 g/mol
XLogP31.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass181.11 Da
Monoisotopic Mass181.11 Da
Topological Polar Surface Area29.500 Ų
Heavy Atom Count13
Formal Charge0
Complexity260.000
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
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