4-AMINO-1,8-NAPHTHALIMIDE

The 1H-Benz[de]isoquinoline-1,3(2H)-dione,6-amino-, with the CAS registry number 1742-95-6, is also known as 4-Amino-1,8-naphthalimide. It belongs to the product categories of Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; PARP (Poly(ADP-Ribose) polymerase); PARP Poly(ADP-ribose) Polymerase Cancer Research; Antitumor Agents; Apoptosis and Cell Cycle; Therapy Adjuncts. Its EINECS number is 217-110-1. This chemical's molecular formula is C₁₂H₈N₂O₂ and molecular weight is 212.2. What's more, its IUPAC name is 6-aminobenzo[de]isoquinoline-1,3-dione. It is stable at common pressure and temperature. What's more, it should be protected from strong oxidants.

Physical properties of 1H-Benz[de]isoquinoline-1,3(2H)-dione,6-amino- are: (1)ACD/LogP: -1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.97; (8)ACD/KOC (pH 7.4): 5.94; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.62 Å²; (13)Index of Refraction: 1.764; (14)Molar Refractivity: 59.5 cm³; (15)Molar Volume: 143.9 cm³; (16)Polarizability: 23.58×10^-24cm³; (17)Surface Tension: 75.1 dyne/cm; (18)Density: 1.474 g/cm³; (19)Flash Point: 282.8 °C; (20)Enthalpy of Vaporization: 82.26 kJ/mol; (21)Boiling Point: 544.1 °C at 760 mmHg; (22)Vapour Pressure: 6.75E-12 mmHg at 25°C.

Preparation of 1H-Benz[de]isoquinoline-1,3(2H)-dione,6-amino-: this chemical can be prepared by 4-nitro-naphthalene-1,8-dicarboxylic acid anhydride. This reaction will need reagent NH₃ and solvent ethanol with the reaction time of 48 hours. The yield is about 51%.

Uses of 1H-Benz[de]isoquinoline-1,3(2H)-dione,6-amino-: it can be used to produce 6-amino-2-(3-nitro-benzyl)-benzo[de]isoquinoline-1,3-dione at the ambient temperature. It will need reagent NaH and solvent dimethylformamide with the reaction time of 30 min. The yield is about 95%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)N
(2)InChI: InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
(3)InChIKey: SSMIFVHARFVINF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 10gm/kg (10000mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 42(1), Pg. 111, 1977.