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CAS No.: | 103429-70-5 |
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Name: | 1,1,-DI(PHTHALAZINE-YL)AMINE |
Molecular Structure: | |
Formula: | C16H11N5 |
Molecular Weight: | 273.297 |
Synonyms: | 1,1,-Di(phthalazine-yl)amine;N-Phthalazin-1-ylphthalazin-1-amine; |
Density: | 1.39 g/cm3 |
Melting Point: | 219-222 °C |
Boiling Point: | 592.9 °C at 760 mmHg |
Flash Point: | 312.4 °C |
PSA: | 63.59000 |
LogP: | 3.38960 |
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The 1-Phthalazinamine,N-1-phthalazinyl-, with the CAS registry number 103429-70-5, is also known as 1,1,-Di(phthalazine-yl)amine. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C16H11N5 and molecular weight is 273.29. What's more, its systematic name is N-Phthalazin-1-ylphthalazin-1-amine.
Physical properties of 1-Phthalazinamine,N-1-phthalazinyl- are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.59; (4)ACD/LogD (pH 7.4): 1.65; (5)ACD/BCF (pH 5.5): 9.28; (6)ACD/BCF (pH 7.4): 10.62; (7)ACD/KOC (pH 5.5): 164.91; (8)ACD/KOC (pH 7.4): 188.79; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 63.59 Å2; (13)Index of Refraction: 1.795; (14)Molar Refractivity: 83.67 cm3; (15)Molar Volume: 196.6 cm3; (16)Polarizability: 33.17×10-24 cm3; (17)Surface Tension: 78.3 dyne/cm; (18)Density: 1.39 g/cm3; (19)Flash Point: 312.4 °C; (20)Enthalpy of Vaporization: 88.41 kJ/mol; (21)Boiling Point: 592.9 °C at 760 mmHg; (22)Vapour Pressure: 4.99E-14 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: c3cccc4cnnc(Nc2nncc1ccccc12)c34
(2)InChI: InChI=1/C16H11N5/c1-3-7-13-11(5-1)9-17-20-15(13)19-16-14-8-4-2-6-12(14)10-18-21-16/h1-10H,(H,19,20,21)
(3)InChIKey: RTPSCFGUJOWKJW-UHFFFAOYAJ