1(2H)-Phthalazinone,7-[(4-aminobutyl)ethylamino]-4-hydroxy- (66612-29-1)

The N-(4-Aminobutyl)-N-ethylisoluminol with the cas number 66612-29-1, is also called 1,4-Phthalazinedione, 6-[(4-aminobutyl)ethylamino]-2,3-dihydro-. Both the systematic name and IUPAC Name are 6-[(4-aminobutyl)(ethyl)amino]-2,3-dihydrophthalazine-1,4-dione. Its molecular formula is C₁₄H₂₀N₄O₂. This chemical belongs to the following product categories: (1)Electronic Chemicals; (2)Chemiluminescence Detection (HPLC Labeling Reagents);Analytical Chemistry; (3)Chemiluminescence; (4)HPLC Labeling Reagents; (5)Luminols (Chemiluminescence).

The properties of the chemical are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 47.1 Å²; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 77.15 cm³; (13)Molar Volume: 229 cm³; (14)Polarizability: 30.58×10^-24cm³; (15)Surface Tension: 51.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(ccc(N(CC)CCCCN)c1)C(=O)NN2
(2)InChI: InChI=1/C14H20N4O2/c1-2-18(8-4-3-7-15)10-5-6-11-12(9-10)14(20)17-16-13(11)19/h5-6,9H,2-4,7-8,15H2,1H3,(H,16,19)(H,17,20)