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147299-15-8

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Basic Information
CAS No.: 147299-15-8
Name: 1-(1-(2-benzo(b)thienyl)cyclohexyl)pyrrolidine
Molecular Structure:
Molecular Structure of 147299-15-8 (1-(1-(2-benzo(b)thienyl)cyclohexyl)pyrrolidine)
Formula: C18H23NS
Molecular Weight: 285.45
Synonyms: SH 354;1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine;
Density: 1.159 g/cm3
Boiling Point: 410.6 °C at 760 mmHg
Flash Point: 202.1 °C
PSA: 31.48000
LogP: 5.09440
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Specification

The Pyrrolidine, 1-(1-benzo[b]thien-2-ylcyclohexyl)-, with the CAS registry number 147299-15-8, is also known as 1-(1-(2-Benzo(b)thienyl)cyclohexyl)pyrrolidine. This chemical's molecular formula is C18H23NS and molecular weight is 285.45. What's more, its IUPAC name is 1-[1-(1-Benzothiophen-2-yl)cyclohexyl]pyrrolidine.

Physical properties about Pyrrolidine, 1-(1-benzo[b]thien-2-ylcyclohexyl)- are: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 31.48 Å2; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 88.3 cm3; (9)Molar Volume: 246 cm3; (10)Polarizability: 35×10-24 cm3; (11)Surface Tension: 51 dyne/cm; (12)Density: 1.159 g/cm3; (13)Flash Point: 202.1 °C; (14)Enthalpy of Vaporization: 66.3 kJ/mol; (15)Boiling Point: 410.6 °C at 760 mmHg; (16)Vapour Pressure: 5.94E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: s2c1ccccc1cc2C4(N3CCCC3)CCCCC4
(2) InChI: InChI=1/C18H23NS/c1-4-10-18(11-5-1,19-12-6-7-13-19)17-14-15-8-2-3-9-16(15)20-17/h2-3,8-9,14H,1,4-7,10-13H2
(3) InChIKey: NDVZYCXZMVQYBS-UHFFFAOYAB