4-Chlorodehydromethyltestosterone
Bezeichnung:4-Chlorodehydromethyltestosterone
CAS-Nr2446-23-3
Englisch Name:4-Chlorodehydromethyltestosterone
CBNumberCB91235550
SummenformelC20H27ClO2
Molgewicht334.88
MOL-Datei2446-23-3.mol
4-Chlorodehydromethyltestosterone physikalisch-chemischer Eigenschaften
Schmelzpunkt | 149-151 °C(Solv: acetone (67-64-1); hexane (110-54-3)) |
Siedepunkt | 464.4±45.0 °C(Predicted) |
Dichte | 1.20±0.1 g/cm3(Predicted) |
Löslichkeit | Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml |
Aggregatzustand | A crystalline solid |
pka | 15.05±0.70(Predicted) |
InChI | InChI=1/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/s3 |
InChIKey | AGUNEISBPXQOPA-RFNNMYDSNA-N |
SMILES | C[C@]12C=CC(=O)C(Cl)=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C)[C@@]3(C)CC[C@]21[H] |&1:1,11,13,17,20,24,r| |