1-Naphthalenesulfonicacid, 5-[(2-aminoethyl)amino]- (50402-56-7)

The 5-(2-Aminoethylamino)-1-naphthalenesulfonic acid, with the cas registry number 50402-56-7 and EINECS registry number 256-575-5, has the systematic name of 5-[(2-aminoethyl)amino]naphthalene-1-sulfonic acid. It is a kind of gray-yellow crystalline power, and belongs to the following product categories: Fluorescent Labels and Indicators; Fluorescent Labels & Indicators; MTS & Sulfhydryl Active Reagents. And the molecular formula of the chemical is C₁₂H₁₄N₂O₃S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -2.31; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.23 Å²; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 71.19 cm³; (15)Molar Volume: 185.9 cm³; (16)Polarizability: 28.22×10^-24cm³; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.432 g/cm³.

When you are using this chemical, please be cautious about it as the following: Firstly, it is harmful if swallowed. Secondly. it irritantes to eyes, respiratory system and skin. And what's more, it may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(O)c1cccc2c1cccc2NCCN
(2)InChI: InChI=1/C12H14N2O3S/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)
(3)InChIKey: SJQRQOKXQKVJGJ-UHFFFAOYAN