Prijeđi na sadržaj

Etil nitrat

Izvor: Wikipedija
Etil nitrat
Identifikacija
CAS registarski broj 625-58-1 DaY
PubChem[1][2] 12259
ChemSpider[3] 11756 DaY
Jmol-3D slike Slika 1
Svojstva
Molekulska formula C2H5NO3
Molarna masa 91.07 g mol−1



Ukoliko nije drugačije napomenuto, podaci se odnose na standardno stanje (25 °C, 100 kPa) materijala

Infobox references

Etil nitrat je organsko jedinjenje, koje sadrži 2 atoma ugljenika i ima molekulsku masu od 91,066 Da.

Osobine

[uredi | uredi kod]
Osobina Vrednost
Broj akceptora vodonika 3
Broj donora vodonika 0
Broj rotacionih veza 2
Particioni koeficijent[4] (ALogP) 2,4
Rastvorljivost[5] (logS, log(mol/L)) -0,8
Polarna površina[6] (PSA, Å2) 55,0

Reference

[uredi | uredi kod]
  1. ↑ 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. DOI:10.1016/j.drudis.2010.10.003. PMID 20970519.  edit
  2. ↑ 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. 
  3. ↑ 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. DOI:10.1186/1758-2946-2-3. PMID 20331846.  edit
  4. ↑ 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. 
  5. ↑ 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. DOI:10.1021/ci000392t. PMID 11749573. 
  6. ↑ 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. DOI:10.1021/jm000942e. PMID 11020286. 

Literatura

[uredi | uredi kod]

Spoljašnje veze

[uredi | uredi kod]
Portal Hemija
Izvor: https://sh.wikipedia.org/w/index.php?title=Etil_nitrat&oldid=33632351