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CAS No.: | 1673-06-9 |
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Name: | amphotalide |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C19H20N2O3 |
Molecular Weight: | 324.379 |
Synonyms: | Phthalimide,N-[5-(p-aminophenoxy)pentyl]- (6CI,7CI,8CI);1-(p-Aminophenoxy)-5-phthalimidopentane;6171RP;Amphothalide;M.and B. 1948 A;N-[5-(4-Aminophenoxy)pentyl]phthalimide;N-[5-(p-Aminophenoxy)pentyl]phthalimide;2-[5-(4-Aminophenoxy)pentyl]-1H-isoindole-1,3(2H)-dione;Schistomide; |
EINECS: | 216-809-9 |
Density: | 1.245 g/cm3 |
Melting Point: | 113.5 °C |
Boiling Point: | 527.6 °C at 760 mmHg |
Flash Point: | 272.9 °C |
PSA: | 72.63000 |
LogP: | 3.63320 |
The 1H-Isoindole-1,3(2H)-dione,2-[5-(4-aminophenoxy)pentyl]-, with the CAS registry number 1673-06-9, is also known as 1-(p-Aminophenoxy)-5-phthalimidopentane. Its EINECS number is 216-809-9. This chemical's molecular formula is C19H20N2O3 and molecular weight is 324.38. What's more, its systematic name is 2-[5-(4-aminophenoxy)pentyl]-1H-isoindole-1,3(2H)-dione. Its classification code is Drug / Therapeutic Agent.
Physical properties of 1H-Isoindole-1,3(2H)-dione,2-[5-(4-aminophenoxy)pentyl]- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 93.98; (6)ACD/BCF (pH 7.4): 142.11; (7)ACD/KOC (pH 5.5): 798.08; (8)ACD/KOC (pH 7.4): 1206.82; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 49.85 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 91.35 cm3; (15)Molar Volume: 260.3 cm3; (16)Polarizability: 36.21×10-24cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 272.9 °C; (20)Enthalpy of Vaporization: 80.22 kJ/mol; (21)Boiling Point: 527.6 °C at 760 mmHg; (22)Vapour Pressure: 3.22E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CCCCCOc3ccc(N)cc3
(2)Std. InChI: InChI=1S/C19H20N2O3/c20-14-8-10-15(11-9-14)24-13-5-1-4-12-21-18(22)16-6-2-3-7-17(16)19(21)23/h2-3,6-11H,1,4-5,12-13,20H2
(3)Std. InChIKey: GIIGAFADHXYOPM-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | > 4gm/kg (4000mg/kg) | British Journal of Pharmacology and Chemotherapy. Vol. 14, Pg. 467, 1959. |