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MedKoo Cat#: 534957 | Name: Tenitramine

Description:

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

Tenitramine is a bioactive chemical.

Chemical Structure

Tenitramine
Tenitramine
CAS#21946-79-2

Theoretical Analysis

MedKoo Cat#: 534957

Name: Tenitramine

CAS#: 21946-79-2

Chemical Formula: C10H24N6O16

Exact Mass: 484.1249

Molecular Weight: 484.33

Elemental Analysis: C, 24.80; H, 4.99; N, 17.35; O, 52.85

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
Tenitramine
IUPAC/Chemical Name
N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediaminetetranitrate
InChi Key
PAPHLMBHAMMFHM-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H24N6O16/c17-7-3-15(4-8-18,29-11(21)22,30-12(23)24)1-2-16(5-9-19,6-10-20,31-13(25)26)32-14(27)28/h17-20H,1-10H2
SMILES Code
O=[N+]([O-])ON(O[N+]([O-])=O)(CCO)(CCO)CCN(O[N+]([O-])=O)(CCO)(CCO)O[N+]([O-])=O
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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 484.33 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: Yu G, Zeng Y, Guo W, Wu H, Zhu G, Zheng Z, Zheng X, Song Y, Yang Y. Visualizing Intramolecular Vibrational Redistribution in Cyclotrimethylene Trinitramine (RDX) Crystals by Multiplex Coherent Anti-Stokes Raman Scattering. J Phys Chem A. 2017 Apr 6;121(13):2565-2571. doi: 10.1021/acs.jpca.7b00069. Epub 2017 Mar 24. PMID: 28319388. 2: Goldberg IG, Vila FD, Jach T. Surface effects on the crystallization of cyclo-1,3,5-trimethylene-2,4,6-trinitramine (RDX) and the consequences for its N K X-ray emission spectrum. J Phys Chem A. 2012 Oct 11;116(40):9897-9. doi: 10.1021/jp306978x. Epub 2012 Sep 27. PMID: 22974270. 3: Hakey P, Ouellette W, Zubieta J, Korter T. Redetermination of cyclo- trimethyl-ene-trinitramine. Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 9;64(Pt 8):o1428. doi: 10.1107/S1600536808019727. PMID: 21203145; PMCID: PMC2962061. 4: Chen G, Xia M, Lei W, Wang F, Gong X. Prediction of crystal morphology of cyclotrimethylene trinitramine in the solvent medium by computer simulation: a case of cyclohexanone solvent. J Phys Chem A. 2014 Dec 11;118(49):11471-8. doi: 10.1021/jp508731q. Epub 2014 Dec 1. PMID: 25401274. 5: Dreger ZA, McCluskey MD, Gupta YM. High pressure-high temperature decomposition of γ-cyclotrimethylene trinitramine. J Phys Chem A. 2012 Oct 4;116(39):9680-8. doi: 10.1021/jp307373v. Epub 2012 Sep 19. PMID: 22971173. 6: Mathew N, Picu CR, Chung PW. Peierls stress of dislocations in molecular crystal cyclotrimethylene trinitramine. J Phys Chem A. 2013 Jun 27;117(25):5326-34. doi: 10.1021/jp401368t. Epub 2013 Jun 18. PMID: 23734970. 7: Pal A, Picu RC. Rotational defects in cyclotrimethylene trinitramine (RDX) crystals. J Chem Phys. 2014 Jan 28;140(4):044512. doi: 10.1063/1.4862997. PMID: 25669560. 8: Dresselhaus-Cooper LE, Martynowych DJ, Zhang F, Tsay C, Ilavsky J, Wang SG, Chen YS, Nelson KA. Pressure-Thresholded Response in Cylindrically Shocked Cyclotrimethylene Trinitramine (RDX). J Phys Chem A. 2020 Apr 30;124(17):3301-3313. doi: 10.1021/acs.jpca.9b07637. Epub 2020 Apr 15. PMID: 32009390. 9: Mathew N, Picu RC. Molecular conformational stability in cyclotrimethylene trinitramine crystals. J Chem Phys. 2011 Jul 14;135(2):024510. doi: 10.1063/1.3609769. PMID: 21766960. 10: Podeszwa R, Rice BM, Szalewicz K. Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles. Phys Chem Chem Phys. 2009 Jul 14;11(26):5512-8. doi: 10.1039/b902015b. Epub 2009 Apr 28. PMID: 19551222. 11: Dreger ZA, Gupta YM. Decomposition of γ-cyclotrimethylene trinitramine (γ-RDX): relevance for shock wave initiation. J Phys Chem A. 2012 Aug 30;116(34):8713-7. doi: 10.1021/jp306589h. Epub 2012 Aug 17. PMID: 22873636. 12: Larentzos JP, Rice BM, Byrd EF, Weingarten NS, Lill JV. Parameterizing complex reactive force fields using multiple objective evolutionary strategies (MOES). Part 1: ReaxFF models for cyclotrimethylene trinitramine (RDX) and 1,1-diamino-2,2-dinitroethene (FOX-7). J Chem Theory Comput. 2015 Feb 10;11(2):381-91. doi: 10.1021/ct500788c. PMID: 26580902. 13: Khayamian T, Tabrizchi M, Jafari MT. Analysis of 2,4,6-trinitrotoluene, pentaerythritol tetranitrate and cyclo-1,3,5-trimethylene-2,4,6-trinitramine using negative corona discharge ion mobility spectrometry. Talanta. 2003 Feb 6;59(2):327-33. doi: 10.1016/s0039-9140(02)00521-0. PMID: 18968915. 14: Podeszwa R, Bukowski R, Rice BM, Szalewicz K. Potential energy surface for cyclotrimethylene trinitramine dimer from symmetry-adapted perturbation theory. Phys Chem Chem Phys. 2007 Nov 7;9(41):5561-9. doi: 10.1039/b709192c. Epub 2007 Aug 23. PMID: 17957312. 15: Haycraft JJ, Stevens LL, Eckhardt CJ. The elastic constants and related properties of the energetic material cyclotrimethylene trinitramine (RDX) determined by Brillouin scattering. J Chem Phys. 2006 Jan 14;124(2):024712. doi: 10.1063/1.2141958. PMID: 16422631. 16: Dang NC, Dreger ZA, Gupta YM, Hooks DE. Time-resolved spectroscopic measurements of shock-wave induced decomposition in cyclotrimethylene trinitramine (RDX) crystals: anisotropic response. J Phys Chem A. 2010 Nov 4;114(43):11560-6. doi: 10.1021/jp106892c. PMID: 20929273. 17: Madeira CL, Field JA, Simonich MT, Tanguay RL, Chorover J, Sierra-Alvarez R. Ecotoxicity of the insensitive munitions compound 3-nitro-1,2,4-triazol-5-one (NTO) and its reduced metabolite 3-amino-1,2,4-triazol-5-one (ATO). J Hazard Mater. 2018 Feb 5;343:340-346. doi: 10.1016/j.jhazmat.2017.09.052. Epub 2017 Sep 28. PMID: 28992572; PMCID: PMC5771256. 18: Lísal M, Larentzos JP, Sellers MS, Schweigert IV, Brennan JK. Dissipative particle dynamics with reactions: Application to RDX decomposition. J Chem Phys. 2019 Sep 21;151(11):114112. doi: 10.1063/1.5117904. PMID: 31542009. 19: Khaneft AV, Dolgachev VA, Rybin SA. The Effect of Metal Film Thickness on Ignition of Organic Explosives with a Laser Pulse. Molecules. 2019 Dec 16;24(24):4600. doi: 10.3390/molecules24244600. PMID: 31888210; PMCID: PMC6943728. 20: Fletcher C, Sleeman R, Luke J, Luke P, Bradley JW. Explosive detection using a novel dielectric barrier discharge ionisation source for mass spectrometry. J Mass Spectrom. 2018 Mar;53(3):214-222. doi: 10.1002/jms.4051. PMID: 29212136.