CAS No.89108-46-3,N-(4-AMINOBUTYL)-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	89108-46-3
Name:	N-(4-AMINOBUTYL)-2-NAPHTHALENESULFONAMIDE HYDROCHLORIDE

Formula:	C₁₄H₁₈N₂O₂S.ClH
Molecular Weight:	314.83
Synonyms:	2-Naphthalenesulfonamide,N-(4-aminobutyl)-, monohydrochloride (9CI);N-(4-Aminobutyl)-2-naphthalenesulfonamidehydrochloride;
Melting Point:	181-182 °C
Boiling Point:	474.7 °C at 760 mmHg
Flash Point:	240.9 °C
Appearance:	White Solid
PSA:	80.57000
LogP:	4.83100

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Specification

The CAS registry number of 2-Naphthalenesulfonamide,N-(4-aminobutyl)-, hydrochloride (1:1) is 89108-46-3. The IUPAC name is N-(4-aminobutyl)naphthalene-2-sulfonamide hydrochloride. In addition, the molecular formula is C₁₄H₁₈N₂O₂S.ClH and the molecular weight is 314.83. What's more, it is a kind of white solid and belongs to the class of Protein Kinase Inhibitors and Activators. It should be stored in a cool and dry place and the storage temperature is 2-8°C.

Physical properties about 2-Naphthalenesulfonamide,N-(4-aminobutyl)-, hydrochloride (1:1) are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/LogD (pH 7.4): -0.49; (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: 6; (12)Polar Surface Area: 45.76 Å²; (13)Flash Point: 240.9 °C; (14)Enthalpy of Vaporization: 73.81 kJ/mol ; (15)Boiling Point: 474.7 °C at 760 mmHg; (16)Vapour Pressure: 3.53E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=S(=O)(NCCCC[NH3+])c2ccc1c(cccc1)c2
(2)InChI: InChI=1/C14H18N2O2S.ClH/c15-9-3-4-10-16-19(17,18)14-8-7-12-5-1-2-6-13(12)11-14;/h1-2,5-8,11,16H,3-4,9-10,15H2;1H
(3)InChIKey: WYFVKUWCEVMLOL-UHFFFAOYAQ