Anabasine - ≥97% , CAS No.13078-04-1

CAS: 13078-04-1 Cat. No.: A124541 Molecular Weight: 162.23 Beilstein Registry Number: 82639 EC Number: 621-972-8
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
C06180 | FT-0625434 | KBioGR_002463 | ( inverted exclamation markA) Anabasine | KBioSS_000383 | PHENYLTHIOHYDANTOIN-ASPARTICACID | FT-0662140 | Prestwick1_000669 | Anabasine | Anabasine, (+/-) | E48D8A38-D352-4AA3-BCCF-B14E46A0556C | STK028316 | MLS000737
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
25mg
A124541-25mg
7

$35.90

$53.90
Save $18.00 (33.40%)
100mg
A124541-100mg
8

$111.90

$167.90
Save $56.00 (33.35%)
250mg
A124541-250mg
4

$150.90

$226.90
Save $76.00 (33.49%)
1g
A124541-1g
3

$474.90

$712.90
Save $238.00 (33.38%)
5g
A124541-5g
1

$1,780.90

$2,671.90
Save $891.00 (33.35%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C 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.

Overview

Anabasine inhibited androstenedione conversion to estrogen in a dose-dependent manner
a tobacco alkaloid, was used as a biomarker of active tobacco use

Specifications

Synonyms
C06180 | FT-0625434 | KBioGR_002463 | ( inverted exclamation markA) Anabasine | KBioSS_000383 | PHENYLTHIOHYDANTOIN-ASPARTICACID | FT-0662140 | Prestwick1_000669 | Anabasine | Anabasine, (+/-) | E48D8A38-D352-4AA3-BCCF-B14E46A0556C | STK028316 | MLS000737
Specifications & Purity
≥97%
Biochemical and Physiological Mechanisms
Nicotinic receptor agonist. Used as a biomarker of active tobacco use. Inhibits androstenedione conversion to estrogen in a dose-dependent manner.
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥97%
Names and Identifiers
Pubchem Sid488179672
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488179672
Canonical SmilesC1CCNC(C1)C2=CN=CC=C2
IUPAC Name3-piperidin-2-ylpyridine
InChIKeyMTXSIJUGVMTTMU-UHFFFAOYSA-N
INCHI1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
Isomeric SMILES C1CCNC(C1)C2=CN=CC=C2
WGK Germany 3
RTECS UT7371000
Molecular Weight 162.23
Beilstein 82639
Reaxy-Rn 82639
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=82639&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
SuperclassAlkaloids and derivatives
ClassNot available
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentAlkaloids and derivatives
Alternative Parents Aralkylamines  Pyridines and derivatives  Piperidines  Heteroaromatic compounds  Dialkylamines  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alkaloid or derivatives - Aralkylamine - Pyridine - Piperidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkaloids and derivatives. These are naturally occurring chemical compounds that contain mostly basic nitrogen atoms. This group also includes some related compounds with neutral and even weakly acidic properties. Also some synthetic compounds of similar structure are attributed to alkaloids. In addition to carbon, hydrogen and nitrogen, alkaloids may also contain oxygen, sulfur and more rarely other elements such as chlorine, bromine, and phosphorus.
External Descriptors Pyridine alkaloids
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CHRNA7 Tchem Neuronal acetylcholine receptor subunit alpha-7 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNA7 Tchem Neuronal acetylcholine receptor protein alpha-7 subunit (3524 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CHRNB2 Tclin Neuronal acetylcholine receptor; alpha4/beta2 (3972 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Musca domestica (713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Chrna3 Neuronal acetylcholine receptor (756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
nAChRalpha5 Nicotinic acetylcholine receptor alpha 5 subunit (134 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.

13 results found

Lot NumberCertificate TypeDateItem
D2311462Certificate of AnalysisDec 29, 2022 A124541
D2311469Certificate of AnalysisDec 29, 2022 A124541
D2311472Certificate of AnalysisDec 29, 2022 A124541
D2311477Certificate of AnalysisDec 29, 2022 A124541
D2311478Certificate of AnalysisDec 29, 2022 A124541
D2311483Certificate of AnalysisDec 29, 2022 A124541
D2311485Certificate of AnalysisDec 29, 2022 A124541
D2311490Certificate of AnalysisDec 29, 2022 A124541
D2311512Certificate of AnalysisDec 29, 2022 A124541
D2311513Certificate of AnalysisDec 29, 2022 A124541
I2501052Certificate of AnalysisDec 29, 2022 A124541
K2204845Certificate of AnalysisNov 24, 2022 A124541
C1518042Certificate of AnalysisNov 11, 2022 A124541

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Chemical and Physical Properties
Refractive Index1.544
Flash Point(°F)199°F
Flash Point(°C)93°C
Boil Point(°C)270-272°C
Melt Point(°C)9°C
Molecular Weight162.230 g/mol
XLogP31.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass162.116 Da
Monoisotopic Mass162.116 Da
Topological Polar Surface Area24.900 Ų
Heavy Atom Count12
Formal Charge0
Complexity136.000
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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