N-(3,3-Dimethyl-3,4-Dihydro-1-Isoquinolinyl)-L-Phenylalanine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22N2O2
IUPAC Name (2s)-2-[(3,3-dimethyl-4h-isoquinolin-1-yl)amino]-3-phenyl-propanoic acid
Molecular Mass 322.401 g·mol−1
Heat of Formation -193.1 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 411.7 Å 3
Surface Area 340.77 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenyl-propanoate
  • (2s)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenyl-propionate
  • (2s)-2-[(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)azaniumyl]-3-phenylpropanoate
CAS Number(s)
  • 187884-91-9
InChIKey SKZOZLFDNIMQMW-KRWDZBQOSA-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