Formula |
C14H21N3O3 |
IUPAC Name |
4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]benzimidazole-1,3-diium-2-one |
Molecular Mass |
279.335 g·mol−1 |
Heat of Formation |
-492.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.71 ± 1.08 D |
Volume |
349.81 Å 3 |
Surface Area |
291.07 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-0.32 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-1,3-dihydrobenzimidazol-2-one
- tocris-1134
|
InChIKey |
UMQUQWCJKFOUGV-VIFPVBQESA-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
|
|
|