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SIS3 (free base)
[CAS# 1009104-85-1]

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Identification
Name SIS3 (free base)
Synonyms 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one
Molecular Structure CAS # 1009104-85-1, SIS3 (free base), 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one
Molecular Formula C28H27N3O3
Molecular Weight 453.53
CAS Registry Number 1009104-85-1
SMILES CN1C(=C(C2=C1N=CC=C2)C=CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C5=CC=CC=C5
Properties
Solubility 0.1563 mg/L (25 ºC water)
Density 1.2±0.1 g/cm3, Calc.*
Index of Refraction 1.628, Calc.*
Melting point 272.89 ºC
Boiling Point 629.08 ºC, 721.8±60.0 ºC (760 mmHg), Calc.*
Flash Point 390.3±32.9 ºC, Calc.*
* Calculated using Advanced Chemistry Development (ACD/Labs) Software.
Safety Data
Hazard Symbols symbol   GHS07 Warning    Details
Hazard Statements H302-H315-H319-H335    Details
Precautionary Statements P261-P280-P301+P312-P302+P352-P305+P351+P338    Details
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