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Dichloropane

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Name

Dichloropane

EINECS N/A
CAS No. 146725-34-0 Density 1.284 g/cm3
PSA 9.23000 LogP 2.31830
Solubility N/A Melting Point N/A
Formula C15H17Cl2NO2 Boiling Point 407.6 °C at 760 mmHg
Molecular Weight 314.211 Flash Point 200.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 146725-34-0 (dichloropane) Hazard Symbols N/A
Synonyms

8-Azabicyclo[3.2.1]octane-2-carboxylicacid, 3-(3,4-dichlorophenyl)-, methyl ester, [1R-(exo,exo)]-;Dichloropane;MFZ2-13;O 456;

Article Data 5

Dichloropane Specification

The Dichloropane, with the CAS registry number 146725-34-0, is also known as 2-Carbomethoxy-3-(3,4-dichlorophenyl)tropane. This chemical's molecular formula is C15H17Cl2NO2 and molecular weight is 314.207. Its IUPAC name is called methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate. In contrast to the closely related RTI-112, Dichloropane is a potent stimulant drug which produces similar effects to cocaine in animal studies, although with a slower onset and longer duration of action.

Physical properties of Dichloropane: (1)ACD/LogP: 3.52; (2)ACD/LogD (pH 5.5): 0.45; (3)ACD/LogD (pH 7.4): 1.28; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.61; (6)ACD/KOC (pH 5.5): 1.67; (7)ACD/KOC (pH 7.4): 11.3; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 78.86 cm3; (13)Molar Volume: 244.6 cm3; (14)Surface Tension: 42.6 dyne/cm; (15)Density: 1.284 g/cm3; (16)Flash Point: 200.3 °C; (17)Enthalpy of Vaporization: 65.95 kJ/mol; (18)Boiling Point: 407.6 °C at 760 mmHg; (19)Vapour Pressure: 7.46E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)[C@H]2C[C@H]3N[C@@H]([C@H]2C(=O)OC)CC3
(2)InChI: InChI=1/C15H17Cl2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3/t9-,10+,13+,14-/m0/s1
(3)InChIKey: JFUNLJPTPCQLIR-PJQZNRQZBW

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