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208345-70-4

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Basic Information
CAS No.: 208345-70-4
Name: 5-CHLORO-2-DODECYLOXY ANILINE
Molecular Structure:
Molecular Structure of 208345-70-4 (5-CHLORO-2-DODECYLOXY ANILINE)
Formula: C18H30ClNO
Molecular Weight: 311.89
Synonyms: 5-CHLORO-2-DODECYLOXY ANILINE;5-Chloro-2-dodecycloxyaniline;BENZENAMINE, 5-CHLORO-2-(DODECYLOXY)-
Density: 1.008g/cm3
Boiling Point: 419.3 °C at 760 mmHg
Flash Point: 207.4 °C
PSA: 35.25000
LogP: 6.80310
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Specification

The Benzenamine, 5-chloro-2-(dodecyloxy)-, with CAS registry number 208345-70-4, has the systematic name of 4-chloro-2-dodecoxy-aniline. Besides this, it is also called 5-Chloro-2-dodecyloxy aniline. And the chemical formula of this chemical is C18H30ClNO.

Physical properties of Benzenamine, 5-chloro-2-(dodecyloxy)-: (1)ACD/LogP: 7.99; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.97; (4)ACD/LogD (pH 7.4): 7.99; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 35.25 Å2; (9)Index of Refraction: 1.513; (10)Molar Refractivity: 93.02 cm3; (11)Molar Volume: 309.2 cm3; (12)Polarizability: 36.87×10-24cm3; (13)Surface Tension: 37.1 dyne/cm; (14)Density: 1.008 g/cm3; (15)Flash Point: 207.4 °C; (16)Enthalpy of Vaporization: 67.3 kJ/mol; (17)Boiling Point: 419.3 °C at 760 mmHg; (18)Vapour Pressure: 3.06E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCOc1cc(ccc1N)Cl
(2)InChI: InChI=1/C18H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-15-16(19)12-13-17(18)20/h12-13,15H,2-11,14,20H2,1H3
(3)InChIKey: ZGDJUXJOTZYVPQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C18H30ClNO/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-15-16(19)12-13-17(18)20/h12-13,15H,2-11,14,20H2,1H3
(5)Std. InChIKey: ZGDJUXJOTZYVPQ-UHFFFAOYSA-N