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CAS No.: 423165-13-3
Name: 8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE
Article Data: 9
Molecular Structure:
Molecular Structure of 423165-13-3 (8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE)
Formula: C20H28N4
Molecular Weight: 324.469
Synonyms: 8-BENZYL-3-EXO-(3-ISOPROPYL-5-METHYL-4H-1,2,4-TRIAZOL-4-YL)-8-AZABICYCLO[3.2.1]OCTANE;8-Benzyl-3-exo-(5-isopropyl-3-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;8-Azabicyclo[3,2,1]octane3-[3-methyl-5-(1-methlethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylmethyl);exo-8-Benzyl-3-(3-isopropyl-5-Methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane;3-[3-Methyl-5-(1-Methylethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylMethyl)-(3-exo)-8-azabicyclo[3.2.1]octane;Maraviroc interMediate(Tropine aMine );8-Azabicyclo[3.2.1]octane,3-[3-Methyl-5-(1-Methylethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylMethyl)-,(3-exo)-;(1R,3s,5S)-8-Benzyl-3-(3-isopropyl-5-Methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane
EINECS: 1533716-785-6
Density: 1.207 g/cm3
Melting Point: 149 ºC
Boiling Point: 481.467 °C at 760 mmHg
Flash Point: 244.982 °C
PSA: 33.95000
LogP: 4.01590
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Chemistry

Molecular Structure of 8-Benzyl-3-exo-(5-isopropyl-3-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS No.423165-13-3):
 
Molecular Formula: C20H28N4 
Molecular Weight: 324.46
CAS No: 423165-13-3
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 33.95 Å2
Index of Refraction: 1.649
Molar Refractivity: 97.98 cm3
Molar Volume: 268.8 cm3
Surface Tension: 44 dyne/cm
Density: 1.2 g/cm3
Flash Point: 245 °C
Enthalpy of Vaporization: 74.62 kJ/mol
Boiling Point: 481.5 °C at 760 mmHg
Vapour Pressure: 1.99E-09 mmHg at 25°C
InChI: InChI=1/C20H28N4/c1-14(2)20-22-21-15(3)24(20)19-11-17-9-10-18(12-19)23(17)13-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3/t17-,18+,19-
InChIKey: YHGHRIAZABSSGB-REPLKXPHBU
Std. InChI: InChI=1S/C20H28N4/c1-14(2)20-22-21-15(3)24(20)19-11-17-9-10-18(12-19)23(17)13-16-7-5-4-6-8-16/h4-8,14,17-19H,9-13H2,1-3H3/t17-,18+,19-
Std. InChIKey: YHGHRIAZABSSGB-REPLKXPHSA-N

Specification

   8-Benzyl-3-exo-(5-isopropyl-3-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane (CAS No.423165-13-3), its synonyms are (3-exo)-8-Benzyl-3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane ; 8-Azabicyclo[3.2.1]octane, 3-[3-methyl-5-(1-methylethyl)-4H-1,2,4-triazol-4-yl]-8-(phenylmethyl)-, (3-exo) .