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2-Propanone,1-[(2R)-1-methyl-2-pyrrolidinyl]-3-[(2S)-1-methyl-2-pyrrolidinyl]-, rel- (454-14-8)

Identification
Name:2-Propanone,1-[(2R)-1-methyl-2-pyrrolidinyl]-3-[(2S)-1-methyl-2-pyrrolidinyl]-, rel-
Synonyms:2-Propanone,1,3-bis(1-methyl-2-pyrrolidinyl)-, (R*,S*)-;Cuscohygrine (6CI,7CI,8CI);Bellaradin;Bellaradine;Cuscohygrine, meso-;Cuskhygrin;Cuskhygrine;meso-Cuscohygrine;
CAS:454-14-8
Molecular Formula: C13H24N2O
Molecular Weight: 224.34
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
Molecular Structure: (C13H24N2O) 2-Propanone,1,3-bis(1-methyl-2-pyrrolidinyl)-, (R*,S*)-;Cuscohygrine (6CI,7CI,8CI);Bellaradin;Bellar...
Properties
Density:0.989 g/cm3
Stability:Solutions are unstable.
Refractive index:1.488
Solubility:soluble in water
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

Storage Temperature: -20?C Freezer
Usage:It was the main alkaloid found in medicinal plants Datura metel.
Safety Data