Melting point |
246-249°C |
alpha |
D23 +37.9° (c = 2 in methanol) |
Density |
1.37 |
Flash point |
9℃ |
storage temp. |
2-8°C |
solubility |
DMSO: ~26 mg/mL |
form |
solid |
pka |
pKa (water): 9.48 ± 0.04; pKa (methanol:water, 40:60 v/v): 8.6; pKa (ethanol:water, 1:1 v/v): 8.5(at 25℃) |
color |
white |
optical activity |
[α]/D +33 to +43°, c =2.0 in methanol |
Merck |
14,8467 |
Stability |
Store in Freezer |
InChI |
InChI=1/C17H17Cl2N.ClH/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11;/h2-6,8,10,12,17,20H,7,9H2,1H3;1H/t12-,17-;/s3 |
InChIKey |
BLFQGGGGFNSJKA-TYIRTQGFNA-N |
SMILES |
C12C=CC=CC=1[C@H](CC[C@H]2C1=CC=C(Cl)C(Cl)=C1)NC.Cl |&1:6,9,r| |
CAS DataBase Reference |
79559-97-0(CAS DataBase Reference) |