Products Categories
CAS No.: | 130497-33-5 |
---|---|
Name: | BRL 52537 HYDROCHLORIDE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C18H24Cl2N2O |
Molecular Weight: | 355.307 |
Synonyms: | 2-(3,4-Dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone; |
Density: | 1.238 g/cm3 |
Boiling Point: | 497.8 °C at 760 mmHg |
Flash Point: | 254.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 23.55000 |
LogP: | 4.69060 |
What can I do for you?
Get Best Price
The Ethanone,2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]-, with the CAS registry number of 130497-33-5, is also known as 2-(3,4-Dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone. Its molecular formula is C18H24Cl2N2O and molecular weight is 355.302. What's more, its systematic name is 1-[(3,4-Dichlorophenyl)acetyl]-2-(pyrrolidin-1-ylmethyl)piperidine.
Physical properties about the Ethanone,2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]- are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 1.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.59; (7)ACD/KOC (pH 5.5): 2.81; (8)ACD/KOC (pH 7.4): 14.7; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.55 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 94.81 cm3; (15)Molar Volume: 286.7 cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.238 g/cm3; (18)Flash Point: 254.8 °C; (19)Enthalpy of Vaporization: 76.58 kJ/mol; (20)Boiling Point: 497.8 °C at 760 mmHg; (21)Vapour Pressure: 4.81E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1Cl)CC(=O)N2CCCCC2CN3CCCC3
(2) InChI: InChI=1/C18H24Cl2N2O/c19-16-7-6-14(11-17(16)20)12-18(23)22-10-2-1-5-15(22)13-21-8-3-4-9-21/h6-7,11,15H,1-5,8-10,12-13H2
(3) InChIKey: GHCCBWMZKJQGLS-UHFFFAOYAM