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78957-86-5

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Basic Information
CAS No.: 78957-86-5
Name: N-(3-Aminopropyl)-5-chloro-1-naphthalenesulfonamide, hydrochloride
Molecular Structure:
Molecular Structure of 78957-86-5 (N-(3-Aminopropyl)-5-chloro-1-naphthalenesulfonamide, hydrochloride)
Formula: C13H16Cl2N2O2S
Molecular Weight: 335.25
Synonyms: N-(3-Aminopropyl)-5-chloronaphthalene-1-sulphonamide hydrochloride;
Boiling Point: 489 °C at 760 mmHg
Flash Point: 249.6 °C
PSA: 80.57000
LogP: 5.09430
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  • N-(3-Aminopropyl)-5-chloro-1-naphthalenesulfonamide Hydrochloride

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    N-(3-Aminopropyl)-5-chloro-1-naphthalenesulfonamide Hydrochloride

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Specification

The CAS registry number of N-(3-Aminopropyl)-5-chloro-1-naphthalenesulfonamide, hydrochloride is 78957-86-5. The systematic name is 3-{[(5-chloronaphthalen-1-yl)sulfonyl]amino}propan-1-aminium chloride. In addition, the molecular formula is C13H16Cl2N2O2S and the molecular weight is 335.25. What's more, it belongs to the class of Inhibitors. And it should be stored in a cool and dry place.

Physical properties about N-(3-Aminopropyl)-5-chloro-1-naphthalenesulfonamide, hydrochloride are: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.61; (4)ACD/LogD (pH 7.4): 0.37; (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): 4.26; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 45.76 Å2; (13)Flash Point: 249.6 °C; (14)Enthalpy of Vaporization: 75.53 kJ/mol; (15)Boiling Point: 489 °C at 760 mmHg; (16)Vapour Pressure: 1.03E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].O=S(=O)(c1cccc2c1cccc2Cl)NCCC[NH3+]
(2)InChI: InChI=1/C13H15ClN2O2S.ClH/c14-12-6-1-5-11-10(12)4-2-7-13(11)19(17,18)16-9-3-8-15;/h1-2,4-7,16H,3,8-9,15H2;1H
(3)InChIKey: QREFPAWBKYKLNV-UHFFFAOYAW