Hexanoic acid,6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]- (88235-25-0)

The 6-[(7-Nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanoic acid with the cas number 88235-25-0 is also called Hexanoic acid,6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-. The IUPAC name is 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoic acid. Its molecular formula is C₁₂H₁₄N₄O₅. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.24 ; (4)ACD/BCF (pH 5.5): 3.28; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 47.45; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 9; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 114.28 Å²; (12)Index of Refraction: 1.65; (13)Molar Refractivity: 73.46 cm³; (14)Molar Volume: 201.2 cm³; (15)Polarizability: 29.12×10^-24cm³; (16)Surface Tension: 73.1 dyne/cm; (17)Enthalpy of Vaporization: 88.56 kJ/mol; (18)Vapour Pressure: 2.38×10 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is toxic by inhalation, in contact with skin and if swallowed. And it is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe dust. Then you should wear suitable protective clothing, gloves and eye/face protection. Finally in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(c2nonc12)NCCCCCC(=O)O
(2)InChI: InChI=1/C12H14N4O5/c17-10(18)4-2-1-3-7-13-8-5-6-9(16(19)20)12-11(8)14-21-15-12/h5-6,13H,1-4,7H2,(H,17,18)
(3)InChIKey: DJFNQJJTTPMBIL-UHFFFAOYAI