N-(4-AMINOBUTYL)-5-CHLORO-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE

The 2-Naphthalenesulfonamide,N-(4-aminobutyl)-5-chloro-, hydrochloride (1:1), with the CAS registry number 88519-57-7, is also known as 2-Naphthalenesulfonamide,N-(4-aminobutyl)-5-chloro-, monohydrochloride (9CI). It belongs to the product categories of All Inhibitors; Inhibitors; Protein Kinase Inhibitors and Activators; Calcium Signaling. Its EINECS registry number is 253-035-0. This chemical's molecular formula is C₁₄H₁₈Cl₂N₂O₂S and molecular weight is 349.28. What's more, its IUPAC name and systematic name are the same which is called 1-(tert-Butoxycarbonyl)-3-phenylproline. It is white powder. It can be used as calmodulin antagonist that binds to calmodulin and inhibits calcium-ion-calmodulin- regulated activities, including phosphodiesterase activation and myosin light chain kinase.

Physical properties about 2-Naphthalenesulfonamide,N-(4-aminobutyl)-5-chloro-, hydrochloride (1:1): (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1.72; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 80.57 Å²; (12)Flash Point: 270.3 °C; (13)Enthalpy of Vaporization: 81.2 kJ/mol; (14)Boiling Point: 523.4 °C at 760 mmHg; (15)Vapour Pressure: 2.6E-11 mmHg at 25 °C; (16)Melting point: 241-243 °C.

When you are dealing with this chemical, you should be very careful. The gas can not be breathed. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Cl.NCCCCNS(=O)(=O)c1ccc2c(c1)cccc2Cl
(2) InChI: InChI=1/C14H17ClN2O2S.ClH/c15-14-5-3-4-11-10-12(6-7-13(11)14)20(18,19)17-9-2-1-8-16;/h3-7,10,17H,1-2,8-9,16H2;1H
(3) InChIKey: QKAALLVQBOLELJ-UHFFFAOYAM