Dibutilheksametilendiamin Sadržaj/Садржај Osobine | Reference | Literatura | Spoljašnje veze | Navigacijski meni4835-11-42097219729Slika 1"PubChem as a public resource for drug discovery."2097051910.1016/j.drudis.2010.10.003edit10.1016/S1574-1400(08)00012-1"Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining"2033184610.1186/1758-2946-2-3edit"Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods"10.1021/jp980230o"Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices"1174957310.1021/ci000392t"Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties"1102028610.1021/jm000942eOrganic chemistryAdvanced Organic Chemistry: Reactions, Mechanisms, and StructureDibutylhexamethylenediamine
Amini
standardno stanje (25 °C, 100 kPa)organsko jedinjenjeatomaugljenikamolekulsku masuDa
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Dibutilheksametilendiamin
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| Dibutilheksametilendiamin | |||
|---|---|---|---|
 | |||
| Identifikacija | |||
CAS registarski broj | 4835-11-4  Y | ||
PubChem[1][2] | 20972 | ||
ChemSpider[3] | 19729 Y | ||
Jmol-3D slike | Slika 1 | ||
| |||
| |||
| Svojstva | |||
Molekulska formula | C14H32N2 | ||
Molarna masa | 228.42 g mol−1 | ||
| |||
Infobox references | |||
Dibutilheksametilendiamin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 228,417 Da.
Sadržaj/Садржај
1 Osobine
2 Reference
3 Literatura
4 Spoljašnje veze
Osobine |
| Osobina | Vrednost |
|---|---|
| Broj akceptora vodonika | 2 |
| Broj donora vodonika | 2 |
| Broj rotacionih veza | 13 |
Particioni koeficijent[4] (ALogP) | 3,6 |
Rastvorljivost[5] (logS, log(mol/L)) | -5,4 |
Polarna površina[6] (PSA, Å2) | 24,1 |
Reference |
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery.". Drug Discov Today 15 (23-24): 1052–7. PMID 20970519. doi:10.1016/j.drudis.2010.10.003.
↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4: 217–241. doi:10.1016/S1574-1400(08)00012-1.
↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). "Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining". J Cheminform 2 (1): 3. PMID 20331846. doi:10.1186/1758-2946-2-3.
↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods". J. Phys. Chem. A 102: 3762–3772. doi:10.1021/jp980230o.
↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices". Chem Inf. Comput. Sci. 41: 1488–1493. PMID 11749573. doi:10.1021/ci000392t.
↑ Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties". J. Med. Chem. 43: 3714–3717. PMID 11020286. doi:10.1021/jm000942e.
Literatura |
Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6. http://www.organic-chemistry.org/books/reviews/0198503466.shtm.
Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7. http://books.google.com/books?id=JDR-nZpojeEC&printsec=frontcover.
Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882.
Spoljašnje veze |
Dibutilheksametilendiamin na Wikimedijinoj ostavi
- Dibutylhexamethylenediamine
Kategorija:
- Amini
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