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Basic Information
CAS No.: 35517-14-7
Name: W-5 Isomer hydrochloride
Molecular Structure:
Molecular Structure of 35517-14-7 (W-5 Isomer hydrochloride)
Formula: C16H22N2O2S.ClH
Molecular Weight: 342.88
Synonyms: 2-Naphthalenesulfonamide,N-(6-aminohexyl)-, monohydrochloride (9CI);N-(6-Aminohexyl)-2-naphthalenesulphonamide hydrochloride;6-[(Naphthalen-2-ylsulfonyl)amino]hexan-1-aminium chloride;2-Naphthalenesulfonamide,N-(6-aminohexyl)-, hydrochloride (1:1);
Melting Point: 144-145 °C
Boiling Point: 493.2 °C at 760 mmHg
Flash Point: 252.1 °C
Appearance: Crystalline solid
PSA: 80.57000
LogP: 5.61120
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Specification

The 2-Naphthalenesulfonamide,N-(6-aminohexyl)-, hydrochloride (1:1) with CAS registry number of 35517-14-7 is also known as N-(6-Aminohexyl)-2-naphthalenesulphonamide hydrochloride. The systematic name is 6-[(Naphthalen-2-ylsulfonyl)amino]hexan-1-aminium chloride. It belongs to product categories of All Inhibitors; Inhibitors; Protein Kinase Inhibitors and Activators. In addition, the formula is C16H22N2O2S.ClH and the molecular weight is 342.88. This chemical is a crystalline solid and is used as a calmodulin antagonist.

Physical properties about 2-Naphthalenesulfonamide,N-(6-aminohexyl)-, hydrochloride (1:1) are: (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. SMILES: [Cl-].O=S(=O)(NCCCCCC[NH3+])c2ccc1c(cccc1)c2
2. InChI: InChI=1/C16H22N2O2S.ClH/c17-11-5-1-2-6-12-18-21(19,20)16-10-9-14-7-3-4-8-15(14)13-16;/h3-4,7-10,13,18H,1-2,5-6,11-12,17H2;1H
3. InChIKey: JLIMXHUUJSFGDV-UHFFFAOYAJ
4. Std. InChI: InChI=1S/C16H22N2O2S.ClH/c17-11-5-1-2-6-12-18-21(19,20)16-10-9-14-7-3-4-8-15(14)13-16;/h3-4,7-10,13,18H,1-2,5-6,11-12,17H2;1H
5. Std. InChIKey: JLIMXHUUJSFGDV-UHFFFAOYSA-N