5-[3-(3-Methoxy-4-Biphenylyl)-1-Butyn-1-Yl]-6-Methyl-2,4-Pyrimidinediamine
Properties
Property | Value |
---|---|
Formula | C22H22N4O |
IUPAC Name | 5-[(3s)-3-(2-methoxy-4-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine |
Molecular Mass | 358.436 g·mol−1 |
Heat of Formation | 287.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.87 ± 1.08 D |
Volume | 446.3 Å 3 |
Surface Area | 398.21 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | 2.76 ± eV |
Point Group Symmetry | C1 |
InChIKey | DATCFVVEPPDLRQ-AWEZNQCLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |