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65-04-3

Name 17a-Methyl-1-testosterone
CAS 65-04-3
EINECS(EC#) 200-366-3
Molecular Formula C20H30O2
MDL Number MFCD00003655
Molecular Weight 302.45
MOL File 65-04-3.mol
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Chemical Properties

Melting point  162-168 °C(lit.)
Boiling point  422.7±45.0 °C(Predicted)
density  1.082
solubility  H2O: ≤0.5 mg/mL
form  solid (photosensitive)
pka 15.14±0.60(Predicted)
color  white
InChI InChI=1/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h6,9,13,15-17,22H,4-5,7-8,10-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/s3
InChIKey JRNSSSJKIGAFCT-PHHVUGHDNA-N
SMILES [C@@]12([H])CC[C@@]3([H])CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@](CC[C@@]21[H])(O)C |&1:0,4,11,13,17,19,22,r|
CAS DataBase Reference 65-04-3(CAS DataBase Reference)

Safety Data

Hazard Codes  T
Risk Statements 
R45:May cause cancer.
R63:Possible risk of harm to the unborn child.
Safety Statements 
S53:Avoid exposure-obtain special instruction before use .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
WGK Germany  3
RTECS  BV8400000
DEA Controlled Substances CSCN: 4000
CSA SCH: Schedule III
NARC: No

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