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4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide

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Name

4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide

EINECS N/A
CAS No. 1188264-95-0 Density 1.174 g/cm3
PSA 57.79000 LogP 2.77870
Solubility N/A Melting Point N/A
Formula C13H20N2O2S Boiling Point 410.424 °C at 760 mmHg
Molecular Weight 268.38 Flash Point 202.017 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1188264-95-0 (4-METHYL-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE) Hazard Symbols N/A
Synonyms

4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide;4-METHYL-N-(2-(PYRROLIDIN-1-YL)ETHYL)BENZENESULFONAMIDE;Benzenesulfonamide, 4-methyl-N-[2-(1-pyrrolidinyl)ethyl]-

 

4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide Specification

The 4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide, with the CAS registry number 1188264-95-0, has the systematic name of 4-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C13H20N2O2S.

The characteristics of 4-Methyl-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide are as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 2.278; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 57.79 Å2; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 73.469 cm3; (13)Molar Volume: 228.611 cm3; (14)Polarizability: 29.125×10-24cm3; (15)Surface Tension: 43.492 dyne/cm; (16)Density: 1.174 g/cm3; (17)Flash Point: 202.017 °C; (18)Enthalpy of Vaporization: 66.275 kJ/mol; (19)Boiling Point: 410.424 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccc(cc1)S(=O)(=O)NCCN2CCCC2
(2)InChI: InChI=1/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)14-8-11-15-9-2-3-10-15/h4-7,14H,2-3,8-11H2,1H3
(3)InChIKey: FDSXNRZUFHYLHK-UHFFFAOYAN

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