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MedKoo Cat#: 578146 | Name: Nicotelline

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Nicotelline is a form of particulate matter found in tobacco smoke. It may be useful as an environmental tracer.

Chemical Structure

Nicotelline
CAS#494-04-2

Theoretical Analysis

MedKoo Cat#: 578146

Name: Nicotelline

CAS#: 494-04-2

Chemical Formula: C15H11N3

Exact Mass: 233.0953

Molecular Weight: 233.27

Elemental Analysis: C, 77.23; H, 4.75; N, 18.01

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Nicotelline
IUPAC/Chemical Name
3,2':4',3''-Terpyridine
InChi Key
OILSPHJMIPYURT-UHFFFAOYSA-N
InChi Code
InChI=1S/C15H11N3/c1-3-13(10-16-6-1)12-5-8-18-15(9-12)14-4-2-7-17-11-14/h1-11H
SMILES Code
c1cncc(c1)c2ccnc(c2)c3cccnc3
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 233.27 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Aquilina NJ, Havel CM, Cheung P, Harrison RM, Ho KF, Benowitz NL, Jacob Iii P. Ubiquitous atmospheric contamination by tobacco smoke: Nicotine and a new marker for tobacco smoke-derived particulate matter, nicotelline. Environ Int. 2021 May;150:106417. doi: 10.1016/j.envint.2021.106417. Epub 2021 Feb 6. PMID: 33561671; PMCID: PMC7987222. 2. Jacob P 3rd, Goniewicz ML, Havel CM, Schick SF, Benowitz NL. Nicotelline: a proposed biomarker and environmental tracer for particulate matter derived from tobacco smoke. Chem Res Toxicol. 2013 Nov 18;26(11):1615-31. doi: 10.1021/tx400094y. Epub 2013 Oct 14. PMID: 24125094; PMCID: PMC3929594. 3. Jacob P, St Helen G, Yu L, Nardone N, Havel C, Cheung P, Benowitz NL. Biomarkers of Exposure for Dual Use of Electronic Cigarettes and Combustible Cigarettes: Nicotelline, NNAL, and Total Nicotine Equivalents. Nicotine Tob Res. 2020 Jun 12;22(7):1107-1113. doi: 10.1093/ntr/ntz235. PMID: 31833541; PMCID: PMC7291810.