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Benzenamine,2-(tetradecyloxy)- (41710-89-8)

Identification
Name:Benzenamine,2-(tetradecyloxy)-
Synonyms:2-Tetradecyloxyaniline;o-Tetradecyloxyaniline;
CAS:41710-89-8
EINECS: 255-510-8
Molecular Formula: C20H35NO
Molecular Weight: 305.51
InChI: InChI=1/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3
Molecular Structure: (C20H35NO) 2-Tetradecyloxyaniline;o-Tetradecyloxyaniline;
Properties
Density:0.924 g/cm3
Refractive index:1.501
Specification:

The CAS register number of 2-Tetradecyloxyaniline is 41710-89-8. It also can be called as Benzenamine,2-(tetradecyloxy)- and the IUPAC name about this chemical is 2-tetradecoxyaniline. The molecular formula about this chemical is C20H35NO.

Physical properties about 2-Tetradecyloxyaniline are: (1)ACD/LogP: 8.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.96; (4)ACD/LogD (pH 7.4): 8; (5)ACD/BCF (pH 5.5): 644767.94; (6)ACD/BCF (pH 7.4): 707005.75; (7)ACD/KOC (pH 5.5): 487995.19; (8)ACD/KOC (pH 7.4): 535100.13; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 12.47Å2; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 97.39 cm3; (15)Molar Volume: 330.3 cm3; (16)Polarizability: 38.61x10-24cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Enthalpy of Vaporization: 67.44 kJ/mol; (19)Boiling Point: 420.5 °C at 760 mmHg; (20)Vapour Pressure: 2.8E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1N)CCCCCCCCCCCCCC
(2)InChI: InChI=1/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3
(3)InChIKey: IXZBAJOADDIGIP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C20H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-22-20-17-14-13-16-19(20)21/h13-14,16-17H,2-12,15,18,21H2,1H3
(5)Std. InChIKey: IXZBAJOADDIGIP-UHFFFAOYSA-N

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