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180637-89-2

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Basic Information
CAS No.: 180637-89-2
Name: 3-[((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-[(E)-2-(PHENYLSULFONYL)VINYL]INDOLE
Article Data: 5
Molecular Structure:
Molecular Structure of 180637-89-2 (3-[((2R)-1-METHYLPYRROLIDIN-2-YL)METHYL]-5-[(E)-2-(PHENYLSULFONYL)VINYL]INDOLE)
Formula: C22H24 N2 O2 S
Molecular Weight: 380.511
Synonyms: 1H-Indole,3-[(1-methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-, (R)-
Density: 1.263
Boiling Point: 617.7°C at 760 mmHg
Flash Point: 327.4°C
PSA: 61.55000
LogP: 5.26790
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Chemistry

Molecular Structure of (R)-3-[(1-Methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-1H-indole (CAS No.180637-89-2):
 
Molecular Formula: C22H24N2O2S
Molecular Weight: 380.5032
CAS No: 180637-89-2
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 5
Polar Surface Area: 61.55 Å2
Index of Refraction: 1.655
Molar Refractivity: 110.52 cm3
Molar Volume: 301.1 cm3
Surface Tension: 56.2 dyne/cm
Density: 1.263 g/cm3
Flash Point: 327.4 °C
Enthalpy of Vaporization: 91.59 kJ/mol
Boiling Point: 617.7 °C at 760 mmHg
Vapour Pressure: 3.46E-15 mmHg at 25°C
InChI: InChI=1/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/b13-11+/t19-/m1/s1
InChIKey: MJICWWOZPCLNBP-XSSIKURBBW
Std. InChI: InChI=1S/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3/b13-11+/t19-/m1/s1
Std. InChIKey: MJICWWOZPCLNBP-XSSIKURBSA-N
Synonyms of (R)-3-[(1-Methyl-2-pyrrolidinyl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-1H-indole (CAS No.180637-89-2): R-5-(2-Benzenesulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole