| Melting point |
~180 °C |
| Boiling point |
473.1±45.0 °C(Predicted) |
| alpha |
D25 +7.5° (c = 1.33 in 1.0N HCl); D22 -31.5° (c = 0.67 in methanol) |
| Density |
1.3587 (rough estimate) |
| refractive index |
1.6070 (estimate) |
| storage temp. |
-20°C Freezer |
| solubility |
95% ethanol and 1 drop 6 N HCl: 0.05 g/mL, clear |
| pka |
pKa 1.42/2.75/9.17(H2O,t =37.0,I=0.5) (Uncertain) |
| form |
powder |
| color |
white |
| Water Solubility |
<0.1 g/100 mL at 22 ºC |
| Merck |
13,5850 |
| BRN |
2816456 |
| Henry's Law Constant |
2.3×107 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI |
1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m0/s1 |
| InChIKey |
SGDBTWWWUNNDEQ-LBPRGKRZSA-N |
| SMILES |
N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O |
| CAS DataBase Reference |
148-82-3(CAS DataBase Reference) |
| IARC |
1 (Vol. 9, Sup 7, 100A) 2012 |
| EPA Substance Registry System |
Melphalan (148-82-3) |
