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| CAS No.: | 454-14-8 |
|---|---|
| Name: | Cuscohygrine |
| Molecular Structure: | |
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| Formula: | C13H24N2O |
| Molecular Weight: | 224.346 |
| Synonyms: | 2-Propanone,1,3-bis(1-methyl-2-pyrrolidinyl)-, (R*,S*)-;Cuscohygrine (6CI,7CI,8CI);Bellaradin;Bellaradine;Cuscohygrine, meso-;Cuskhygrin;Cuskhygrine;meso-Cuscohygrine; |
| Density: | 0.989 g/cm3 |
| Boiling Point: | 312.4 °C at 760 mmHg |
| Flash Point: | 118 °C |
| Solubility: | soluble in water |
| PSA: | 23.55000 |
| LogP: | 1.39990 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
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- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride anschliessende Decarboxylierung; |
| Conditions | Yield |
|---|---|
| With aqueous solution of pH 7 Erhitzen des Reaktionsprodukts unter vermindertem Druck; |
- 857419-87-5
1,3-bis-(1-methyl-pyrrol-2-yl)-acetone
- 454-14-8
cuscohygrine
| Conditions | Yield |
|---|---|
| With palladium; acetic acid Hydrogenation; | |
| With acetic acid; platinum Hydrogenation; |
| Conditions | Yield |
|---|---|
| isomer(ic) II; | |
| isomer(ic) I; |
- 872-50-4
1-methyl-pyrrolidin-2-one
- 542-05-2
acetonedicarboxylic acid
- 60-29-7
diethyl ether
A
- 454-14-8
cuscohygrine
| Conditions | Yield |
|---|---|
| in gepufferter wss. Loesung; |
- 454-14-8
cuscohygrine
- 74-88-4
methyl iodide
- 59884-19-4, 62209-22-7
1,1,1',1'-tetramethyl-2,2'-(2-oxo-propanediyl)-bis-pyrrolidinium; diiodide
| Conditions | Yield |
|---|---|
| With ethanol im Druckgefaess; |
- 454-14-8
cuscohygrine
- 45771-52-6
(+/-)-hygrine
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 180℃; | |
| With potassium hydroxide; diethyl ether laengeres Stehen; | |
| With potassium hydroxide 8-stdg. Kochen; |
| Conditions | Yield |
|---|---|
| With nitrogen oxides; sodium ethanolate at 10 - 15℃; |
| Conditions | Yield |
|---|---|
| With ethanol; sodium erschoepfende Methylierung des Reaktionsgemisches und folgende Hydrierung mit Wasserstoff und kolloidalem Platin in 50 prozentiger Essigsaeure; |
- 454-14-8
cuscohygrine
| Conditions | Yield |
|---|---|
| With ethanol; hydrazine hydrate |
- Total:19 Page 1 of 1 1
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Specification
The CAS register number of Cuscohygrine is 454-14-8. It also can be called as 1,3-Bis[(2S)-1-methylpyrrolidin-2-yl]propan-2-one and the IUPAC name about this chemical is 1,3-bis(1-methylpyrrolidin-2-yl)propan-2-one. The molecular formula about this chemical is C13H24N2O and the molecular weight is 224.34.
Physical properties about Cuscohygrine are: (1)ACD/LogP: 0.72; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 23.55 Å2; (5)Index of Refraction: 1.488; (6)Molar Refractivity: 65.44 cm3; (7)Molar Volume: 226.7 cm3; (8)Polarizability: 25.94x10-24cm3; (9)Surface Tension: 33.4 dyne/cm; (10)Enthalpy of Vaporization: 55.34 kJ/mol; (11)Boiling Point: 312.4 °C at 760 mmHg; (12)Vapour Pressure: 0.000531 mmHg at 25°C.
The Cuscohygrine can be extracted from plants of the family Solanaceae as well, including Atropa belladonna (deadly nightshade), Datura inoxia and Datura stramonium (jimson weed).
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC1N(C)CCC1)CC2N(C)CCC2
(2)InChI: InChI=1/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3
(3)InChIKey: ZEBIACKKLGVLFZ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C13H24N2O/c1-14-7-3-5-11(14)9-13(16)10-12-6-4-8-15(12)2/h11-12H,3-10H2,1-2H3
(5)Std. InChIKey: ZEBIACKKLGVLFZ-UHFFFAOYSA-N