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50262-67-4

Basic Information
CAS No.: 50262-67-4
Name: 4-N-NONYLOXYANILINE
Article Data: 14
Molecular Structure:
Molecular Structure of 50262-67-4 (4-N-NONYLOXYANILINE)
Formula: C15H25NO
Molecular Weight: 235.37
Synonyms: 4-(Nonyloxy)aniline;p-Nonyloxyaniline;
Density: 0.949g/cm3
Melting Point: 39-41°C
Boiling Point: 356.5 °C at 760 mmHg
Flash Point: 159.3 °C
Solubility: Insoluble in water.
Hazard Symbols: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes: 20/21/22
Safety: 36/37
Transport Information: 2811
PSA: 35.25000
LogP: 4.97940
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Specification

This chemical is called Benzenamine, 4-(nonyloxy)-, and its systematic name is 4-(nonyloxy)aniline. With the molecular formula of C15H25NO, its molecular weight is 235.36. The CAS registry number of this chemical is 50262-67-4. Additionally, its product category is Alkylanilines.

Other characteristics of the Benzenamine, 4-(nonyloxy)- can be summarised as followings: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.81; (4)ACD/LogD (pH 7.4): 4.99; (5)ACD/BCF (pH 5.5): 2396.21; (6)ACD/BCF (pH 7.4): 3659; (7)ACD/KOC (pH 5.5): 8083.08; (8)ACD/KOC (pH 7.4): 12342.83; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 74.23 cm3; (15)Molar Volume: 247.7 cm3; (16)Polarizability: 29.42×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 159.3 °C; (20)Enthalpy of Vaporization: 60.17 kJ/mol; (21)Boiling Point: 356.5 °C at 760 mmHg; (22)Vapour Pressure: 2.91E-05 mmHg at 25°C.

Uses of this chemical: The Benzenamine, 4-(nonyloxy)- could react with 4-(4-n-heptyloxybenzoyloxy)-3-methoxybenzaldehyde, and obtain the 4-heptyloxy-benzoic acid 2-methoxy-4-[(4-nonyloxy-phenylimino)-methyl]-phenyl ester. The yield is 91 %.

Benzenamine, 4-(nonyloxy)- and 4-(4-n-heptyloxybenzoyloxy)-3-methoxybenzaldehyde4-heptyloxy-benzoic acid 2-methoxy-4-[(4-nonyloxy-phenylimino)-methyl]-phenyl ester

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O(c1ccc(cc1)N)CCCCCCCCC
2.InChI: InChI=1/C15H25NO/c1-2-3-4-5-6-7-8-13-17-15-11-9-14(16)10-12-15/h9-12H,2-8,13,16H2,1H3
3.InChIKey: JQLBBFVOAHUASD-UHFFFAOYAH