CAS No.195875-84-4,tesofensine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	195875-84-4
Name:	tesofensine

Formula:	C₁₇H₂₃Cl₂NO
Molecular Weight:	328.28
Synonyms:	Tesofensine;Tesofensine [INN];UNII-BLH9UKX9V1;(1R,2R,3S,5S)-3-(3,4-Dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane;
Density:	1.161 g/cm³
Boiling Point:	396.6 °C at 760 mmHg
Flash Point:	193.7 °C
PSA:	12.47000
LogP:	4.53410

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Specification

The 8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)-, with the CAS registry number 195875-84-4, is also known as Tesofensine. This chemical's molecular formula is C₁₇H₂₃Cl₂NO and molecular weight is 328.28. What's more, its systematic name is (1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane.

Physical properties of 8-Azabicyclo[3.2.1]octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1R,2R,3S,5S)- are: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.84; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.66; (8)ACD/KOC (pH 7.4): 5.51; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 88.54 cm³; (15)Molar Volume: 282.5 cm³; (16)Polarizability: 35.1×10-²⁴cm³; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.161 g/cm³; (19)Flash Point: 193.7 °C; (20)Enthalpy of Vaporization: 64.7 kJ/mol; (21)Boiling Point: 396.6 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOCC1C2CCC(N2C)CC1C3=CC(=C(C=C3)Cl)Cl
(2)Isomeric SMILES: CCOC[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
(3)InChI: InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1
(4)InChIKey: VCVWXKKWDOJNIT-ZOMKSWQUSA-N