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CAS No.: | 71662-29-8 |
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Name: | 9-amino-8-methylphenazin-2-ol |
Molecular Structure: | |
Formula: | C13H11N3O |
Molecular Weight: | 225.25 |
Synonyms: | 9-Amino-8-methylphenazin-2-ol; |
EINECS: | 275-795-2 |
Density: | 1.398 g/cm3 |
Boiling Point: | 505.9 °C at 760 mmHg |
Flash Point: | 259.7 °C |
PSA: | 71.77000 |
LogP: | 2.54810 |
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The 2-Phenazinol,9-amino-8-methyl- has the CAS registry number 71662-29-8. Its EINECS number is 275-795-2. This chemical's molecular formula is C13H11N3O and molecular weight is 225.25. What's more, its systematic name is 9-Amino-8-methylphenazin-2-ol.
Physical properties of 2-Phenazinol,9-amino-8-methyl- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 90.7; (6)ACD/BCF (pH 7.4): 57.33; (7)ACD/KOC (pH 5.5): 862.78; (8)ACD/KOC (pH 7.4): 545.29; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.03 Å2; (13)Index of Refraction: 1.803; (14)Molar Refractivity: 69.06 cm3; (15)Molar Volume: 161 cm3; (16)Polarizability: 27.37×10-24 cm3; (17)Surface Tension: 79.9 dyne/cm; (18)Density: 1.398 g/cm3; (19)Flash Point: 259.7 °C; (20)Enthalpy of Vaporization: 80.5 kJ/mol; (21)Boiling Point: 505.9 °C at 760 mmHg; (22)Vapour Pressure: 7.43E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc2nc3c(nc2cc1)ccc(C)c3N
(2)InChI: InChI=1S/C13H11N3O/c1-7-2-4-10-13(12(7)14)16-11-6-8(17)3-5-9(11)15-10/h2-6,17H,14H2,1H3
(3)InChIKey: LPJYJEOWTXQTAJ-UHFFFAOYSA-N