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61714-25-8

Basic Information
CAS No.: 61714-25-8
Name: W-5 HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 61714-25-8 (W-5 HYDROCHLORIDE)
Formula: C16H23ClN2O2S
Molecular Weight: 342.89
Synonyms: 1-Naphthalenesulfonamide,N-(6-aminohexyl)-, monohydrochloride (9CI);
Density: 1.176 g/cm3
Melting Point: 150-152 °C
Boiling Point: 493.2 °C at 760 mmHg
Flash Point: 252.1 °C
Appearance: off-white crystalline solid
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 26
PSA: 80.57000
LogP: 5.61120
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Specification

The 1-Naphthalenesulfonamide,N-(6-aminohexyl)-, hydrochloride (1:1), also known as W-5, Hydrochloride, is an organic compound with the formula C16H23ClN2O2S. It belongs to the product categories of Protein Kinase Inhibitors and Activators; Calcium signaling. With the CAS registry number 61714-25-8, its IUPAC name is N-(6-aminohexyl)naphthalene-1-sulfonamide hydrochloride. The substance should be sealed and stored in cool and dry place at 2-8 °C. What's more, it should be protected from oxides.

Physical properties of 1-Naphthalenesulfonamide,N-(6-aminohexyl)-, hydrochloride (1:1): (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): -0.19; (3)ACD/LogD (pH 7.4): 0.06; (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): 1.3; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 8; (11)Flash Point: 252.1 °C; (12)Enthalpy of Vaporization: 76.03 kJ/mol; (13)Boiling Point: 493.2 °C at 760 mmHg; (14)Vapour Pressure: 7.16E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NCCCCCCN.Cl
(2)InChI: InChI=1S/C16H22N2O2S.ClH/c17-12-5-1-2-6-13-18-21(19,20)16-11-7-9-14-8-3-4-10-15(14)16;/h3-4,7-11,18H,1-2,5-6,12-13,17H2;1H
(3)InChIKey: HOCSVIGHWPLMFC-UHFFFAOYSA-N