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4-Heptyloxyaniline

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Name

4-Heptyloxyaniline

EINECS N/A
CAS No. 39905-44-7 Density 0.965g/cm3
PSA 35.25000 LogP 4.19920
Solubility N/A Melting Point 44-48 °C(lit.)
Formula C13H21NO Boiling Point 325.9 °C at 760 mmHg
Molecular Weight 207.316 Flash Point 145 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 39905-44-7 (4-HEPTYLOXYANILINE) Hazard Symbols
Synonyms

4-(Heptyloxy)aniline;4-(Heptyloxy)benzenamine;p-Heptyloxyaniline;

Article Data 23

4-Heptyloxyaniline Specification

The 4-Heptyloxyaniline with the cas number 39905-44-7 is also called Benzenamine,4-(heptyloxy)-. The systematic name is 4-(heptyloxy)aniline. Its molecular formula is C13H21NO. The product's category is Alkylanilines. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.74; (4)ACD/LogD (pH 7.4): 3.93; (5)ACD/BCF (pH 5.5): 368.28; (6)ACD/BCF (pH 7.4): 569.64; (7)ACD/KOC (pH 5.5): 2107.52; (8)ACD/KOC (pH 7.4): 3259.84; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 64.96 cm3; (15)Molar Volume: 214.7 cm3; (16)Polarizability: 25.75×10-24cm3; (17)Surface Tension: 36.6 dyne/cm; (18)Enthalpy of Vaporization: 56.81 kJ/mol; (19)Vapour Pressure: 0.000223 mmHg at 25°C.

Uses: This chemical can react with 4-ethoxy-2-hydroxy-benzaldehyde to product 5-ethoxy-2-[(4-heptyloxy-phenylimino)-methyl]-phenol. This reaction needs reagent ethanol at heating condition. The reaction time is 2.5 hours. The yield is 69%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should 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)CCCCCCC
(2)InChI: InChI=1/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3
(3)InChIKey: LTGYTOOKQWFTQG-UHFFFAOYAK

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