Formula |
C12H17N3O |
IUPAC Name |
2-amino-5-[(1r)-1-hydroxy-2-(isopropylamino)ethyl]benzonitrile |
Molecular Mass |
219.283 g·mol−1 |
Heat of Formation |
-43.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.45 ± 1.08 D |
Volume |
287.0 Å 3 |
Surface Area |
268.99 Å 2 |
HOMO Energy |
-8.71 ± 0.55 eV |
LUMO Energy |
-0.49 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 2-amino-5-[(1r)-1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile
|
InChIKey |
BUXRLJCGHZZYNE-LBPRGKRZSA-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
|
|
|