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CAS No.: | 71205-39-5 |
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Name: | 4-[[(4-Butylphenyl)methylene]amino]phenol |
Molecular Structure: | |
Formula: | C17H19NO |
Molecular Weight: | 253.34 |
Synonyms: | 4-[(4-Butylphenyl)methyleneamino]phenol;N-((4-Butylphenyl)methylene)-4-hydroxybenzeneamine; |
Density: | 1.01 g/cm3 |
Boiling Point: | 418 °C at 760 mmHg |
Flash Point: | 270.5 °C |
PSA: | 32.59000 |
LogP: | 4.48540 |
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The Phenol,4-[[(4-butylphenyl)methylene]amino]-, with the CAS registry number 71205-39-5, is also known as N-((4-Butylphenyl)methylene)-4-hydroxybenzeneamine. This chemical's molecular formula is C17H19NO and molecular weight is 253.34. What's more, its systematic name is 4-[(4-Butylphenyl)methyleneamino]phenol.
Physical properties of Phenol,4-[[(4-butylphenyl)methylene]amino]- are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1162.66; (6)ACD/BCF (pH 7.4): 1220.23; (7)ACD/KOC (pH 5.5): 5345.94; (8)ACD/KOC (pH 7.4): 5610.67; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 32.59 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 79.51 cm3; (15)Molar Volume: 250.3 cm3; (16)Polarizability: 31.52×10-24 cm3; (17)Surface Tension: 37.3 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 270.5 °C; (20)Enthalpy of Vaporization: 69.75 kJ/mol; (21)Boiling Point: 418 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1=CC=C(C=C1)C=NC2=CC=C(C=C2)O
(2)InChI: InChI=1S/C17H19NO/c1-2-3-4-14-5-7-15(8-6-14)13-18-16-9-11-17(19)12-10-16/h5-13,19H,2-4H2,1H3
(3)InChIKey: KGWBQDCYCHBEQR-UHFFFAOYSA-N