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| CAS No.: | 19064-69-8 |
|---|---|
| Name: | 1-AMINOPHTHALAZINE |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | Phthalazine,1-amino-;Phthalazin-1-amine; |
| Density: | 1.292 g/cm3 |
| Melting Point: | 213-215 °C |
| Boiling Point: | 423.2 °C at 760 mmHg |
| Flash Point: | 239.3 °C |
| PSA: | 51.80000 |
| LogP: | 1.79320 |
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- Total:11 Page 1 of 1 1
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Specification
The 1-Phthalazinamine, with the CAS registry number 19064-69-8, is also known as Phthalazine, 1-amino-. It belongs to the product categories of Aromatics Compounds; Aromatics. This chemical's molecular formula is C8H7N3 and molecular weight is 145.16. What's more, its IUPAC name is Phthalazin-1-amine.
Physical properties of 1-Phthalazinamine are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.3; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 2.13; (7)ACD/KOC (pH 5.5): 5.09; (8)ACD/KOC (pH 7.4): 57.38; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.02 Å2; (13)Index of Refraction: 1.723; (14)Molar Refractivity: 44.51 cm3; (15)Molar Volume: 112.2 cm3; (16)Polarizability: 17.64×10-24 cm3; (17)Surface Tension: 70.4 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 239.3 °C; (20)Enthalpy of Vaporization: 67.75 kJ/mol; (21)Boiling Point: 423.2 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=NN=C2N
(2)InChI: InChI=1S/C8H7N3/c9-8-7-4-2-1-3-6(7)5-10-11-8/h1-5H,(H2,9,11)
(3)InChIKey: WTYSCLHDMXBMKM-UHFFFAOYSA-N