Ethanone,2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]- supplier

Name
BRL 52537 HYDROCHLORIDE
EINECS
CAS No. 130497-33-5
Article Data2
CAS DataBase
Density 1.238 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₄Cl₂N₂O
Boiling Point 497.8 °C at 760 mmHg
Molecular Weight 355.307
Flash Point 254.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3,4-Dichlorophenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;
PSA 23.55000
LogP 4.69060

Ethanone,2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]- Specification

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

Product Name

BRL 52537 HYDROCHLORIDE

Ethanone,2-(3,4-dichlorophenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]- Specification

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