Text Search
Structure Search

tert-butyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate

tert-butyl 8-amino-3,4-dihydro-1H-isoquinoline-2-carboxylate

CAS: 910442-87-4

Formula: C14H20N2O2

SMILES: CC(C)(C)OC(=O)N1CCC2=C(C1)C(N)=CC=C2

IUPAC: tert-butyl 8-amino-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

InChI: InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-8-7-10-5-4-6-12(15)11(10)9-16/h4-6H,7-9,15H2,1-3H3

Composition: C (67.72%), H (8.12%), N (11.28%), O (12.89%)

Molar Mass: 248.326

Atom Count: 38

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.152477892
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RKPGKOBRVFHMLX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.31
Topological Polar Surface Area 55.56
Polarizability 27.37
Ring Count 2
Rotatable Bond Count 2

Suppliers

No suppliers are currently stocking this item.