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| CAS No.: | 35517-11-4 |
|---|---|
| Name: | N-(5-AMINOPENTYL)-1-NAPHTHALENESULFONAMIDE HCL |
| Molecular Structure: | |
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| Formula: | C15H21ClN2O2S |
| Molecular Weight: | 328.863 |
| Synonyms: | N-(5-Aminopentyl)naphthalene-1-sulfonamide hydrochloride (1:1);N-(5-Aminopentyl)-1-naphthalenesulfonamide Hydrochloride; |
| Melting Point: | 217-218°C |
| Boiling Point: | 483.8 °C at 760 mmHg |
| Flash Point: | 246.4 °C |
| Appearance: | White Crystalline Solid |
| PSA: | 80.57000 |
| LogP: | 5.22110 |
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Specification
The 1-Naphthalenesulfonamide,N-(5-aminopentyl)-, hydrochloride (1:1), with the CAS registry number 35517-11-4, is also known as N-(5-Aminopentyl)naphthalene-1-sulfonamide hydrochloride (1:1). It belongs to the product categories of All Inhibitors; Inhibitors; Protein Kinase Inhibitors and Activators. This chemical's molecular formula is C15H21ClN2O2S and molecular weight is 328.86. What's more, its systematic name is 5-[(naphthalen-1-ylsulfonyl)amino]pentan-1-aminium chloride.
Physical properties of 1-Naphthalenesulfonamide,N-(5-aminopentyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 7 ; (12)Polar Surface Area: 45.76 Å2; (13)Flash Point: 246.4 °C; (14)Enthalpy of Vaporization: 74.89 kJ/mol; (15)Boiling Point: 483.8 °C at 760 mmHg; (16)Vapour Pressure: 1.63E-09 mmHg at 25°C.
Preparation: this chemical can be prepared by 6-(naphthalene-1-sulfonylamino)-hexanoic acid amide. This reaction will need reagents phenyliodosyl bis(trifluoroacetate), HCl with the reaction time of 6 hours. The yield is about 76%.
-, hydrochloride(1).jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=S(=O)(NCCCCC[NH3+])c2cccc1ccccc12
(2)Std. InChI: InChI=1S/C15H20N2O2S.ClH/c16-11-4-1-5-12-17-20(18,19)15-10-6-8-13-7-2-3-9-14(13)15;/h2-3,6-10,17H,1,4-5,11-12,16H2;1H
(3)Std. InChIKey: REUUWWVXTNSSJV-UHFFFAOYSA-N