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CAS No.: | 29101-37-9 |
---|---|
Name: | 1-[(1-Naphthylimino)methyl]-2-naphthol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C21H15NO |
Molecular Weight: | 297.356 |
Synonyms: | 1-(1-Naphthyliminomethyl)naphthalen-2-ol; |
Density: | 1.15 g/cm3 |
Boiling Point: | 526.8 °C at 760 mmHg |
Flash Point: | 353.9 °C |
PSA: | 32.59000 |
LogP: | 5.44920 |
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The CAS registry number of 1-[(1-Naphthylimino)methyl]-2-naphthol is 29101-37-9. This chemical's molecular formula is C21H15NO and molecular weight is 297.3499. What's more, both its IUPAC name and systematic name are the same which is called 1-(1-Naphthyliminomethyl)naphthalen-2-ol.
Physical properties about 1-[(1-Naphthylimino)methyl]-2-naphthol are: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 5.5; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 32.59 Å2; (9)Index of efraction: 1.639; (10)Molar Refractivity: 93.03 cm3; (11)Molar Volume: 258.5 cm3; (12)Surface Tension: 45.4 dyne/cm; (13)Density: 1.15 g/cm3; (14)Flash Point: 353.9 °C; (15)Enthalpy of Vaporization: 83.14 kJ/mol; (16)Boiling Point: 526.8 °C at 760 mmHg; (17)Vapour Pressure: 1.03E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc2c(c1)cccc2N=Cc3c4ccccc4ccc3O
(2) InChI: InChI=1/C21H15NO/c23-21-13-12-16-7-1-3-9-17(16)19(21)14-22-20-11-5-8-15-6-2-4-10-18(15)20/h1-14,23H
(3) InChIKey: CFVMLACBKWKHEP-UHFFFAOYAR