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6638-21-7

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Basic Information
CAS No.: 6638-21-7
Name: 1-((E)-((4-methylphenyl)imino)methyl)-2-naphthol
Article Data: 10
Molecular Structure:
Molecular Structure of 6638-21-7 (1-((E)-((4-methylphenyl)imino)methyl)-2-naphthol)
Formula: C18H15NO
Molecular Weight: 261.323
Synonyms: -; 1-{[(4-methylphenyl)amino]methylidene}naphthalen-2(1H)-one
Density: 1.263 g/cm3
Boiling Point: 467.3 °C at 760 mmHg
Flash Point: 179.8 °C
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Specification

The 2-Naphthalenol,1-[[(4-methylphenyl)imino]methyl]- has CAS registry number of 6638-21-7. Its molecular formula is C18H15NO and molecular weight is 261.317800. What's more, its IUPAC name is 1-[(4-Methylanilino)methylidene]naphthalen-2-one.

Physical properties about the 2-Naphthalenol,1-[[(4-methylphenyl)imino]methyl]- are: (1)ACD/LogP: 4.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.68; (4)ACD/LogD (pH 7.4): 4.68; (5)ACD/BCF (pH 5.5): 2126.09; (6)ACD/BCF (pH 7.4): 2126.1; (7)ACD/KOC (pH 5.5): 8384.53; (8)ACD/KOC (pH 7.4): 8384.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.735; (14)Molar Refractivity: 83.02 cm3; (15)Molar Volume: 206.8 cm3; (16)Surface Tension: 66 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 179.8 °C; (19)Enthalpy of Vaporization: 72.92 kJ/mol; (20)Boiling Point: 467.3 °C at 760 mmHg; (21)Vapour Pressure: 6.61E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2C(c1c(cccc1)\C=C\2)=CNc3ccc(cc3)C
(2) InChI: InChI=1/C18H15NO/c1-13-6-9-15(10-7-13)19-12-17-16-5-3-2-4-14(16)8-11-18(17)20/h2-12,19H,1H3
(3) InChIKey: DJWBZYCAMXUHHR-UHFFFAOYAF