N,N'-Di-2-butil-1,4-fenilenediamin

N,N'-Di-2-butil-1,4-fenilenediamin
Identifikacija
CAS registarski broj 101-96-2 DaY
Jmol-3D slike Slika 1
SMILES

CCC(C)Nc1ccc(NC(C)CC)cc1

InChI

InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3 DaY
Kod: FSWDLYNGJBGFJH-UHFFFAOYSA-N DaY

Svojstva
Molekulska formula C14H24N2
Molarna masa 220.35 g mol−1



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

Infobox references

N,N'-Di-2-butil-1,4-fenilenediamin je organsko jedinjenje, koje sadrži 14 atoma ugljenika i ima molekulsku masu od 220,354 Da.

Osobine

Osobina Vrednost
Broj akceptora vodonika 2
Broj donora vodonika 2
Broj rotacionih veza 6
Particioni koeficijent[1] (ALogP) 3,9
Rastvorljivost[2] (logS, log(mol/L)) -4,1
Polarna površina[3] (PSA, Å2) 24,1

Reference

  1. ↑ 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. 
  2. ↑ 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. 
  3. ↑ 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

  • Clayden Jonathan, Nick Greeves, Stuart Warren, Peter Wothers (2001). Organic chemistry. Oxford, Oxfordshire: Oxford University Press. ISBN 0-19-850346-6. 
  • Smith, Michael B.; March, Jerry (2007). Advanced Organic Chemistry: Reactions, Mechanisms, and Structure (6th izd.). New York: Wiley-Interscience. ISBN 0-471-72091-7. 
  • Katritzky A.R., Pozharskii A.F. (2000). Handbook of Heterocyclic Chemistry. Academic Press. ISBN 0080429882. 

Spoljašnje veze

Portal Hemija
N,N'-Di-2-butil-1,4-fenilenediamin na Wikimedijinoj ostavi
  • N,N'-Di-2-butyl-1,4-phenylenediamine