2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
Bezeichnung:2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CAS-Nr851784-82-2
Englisch Name:2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
CBNumberCB42995940
SummenformelC15H17Cl2NO4
Molgewicht346.21
MOL-Datei851784-82-2.mol
2-(tert-butoxycarbonyl)-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid physikalisch-chemischer Eigenschaften
Siedepunkt | 468.5±45.0 °C(Predicted) |
Dichte | 1.379±0.06 g/cm3(Predicted) |
storage temp. | Sealed in dry,Room Temperature |
Löslichkeit | Chloroform (Sparingly, Sonicated), Methanol (Slightly) |
pka | 1.87±0.20(Predicted) |
Aggregatzustand | Solid |
Farbe | White to Off-White |
InChI | InChI=1S/C15H17Cl2NO4/c1-15(2,3)22-14(21)18-5-4-9-8(7-18)6-10(16)11(12(9)17)13(19)20/h6H,4-5,7H2,1-3H3,(H,19,20) |
InChIKey | JXBQRXIJBFUZMR-UHFFFAOYSA-N |
SMILES | C1C2=C(C(Cl)=C(C(O)=O)C(Cl)=C2)CCN1C(OC(C)(C)C)=O |