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| CAS No.: | 2016-52-6 |
|---|---|
| Name: | hexadecylammonium acetate |
| Molecular Structure: | |
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| Formula: | C18H39NO2 |
| Molecular Weight: | 301.50776 |
| Synonyms: | Armac 16D;hexadecylazanium acetate;143-27-1;Hexadecylammonium acetate;1-Hexadecanamine,acetate;1-Hexadecanamine, acetate (salt); |
| EINECS: | 217-954-0 |
| Density: | 0.814 g/cm3 |
| Boiling Point: | 321.8 °C at 760 mmHg |
| Flash Point: | 140.6 °C |
| PSA: | 63.32000 |
| LogP: | 6.21760 |
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Specification
The 1-Hexadecanamine, acetate is an organic compound with the formula C18H39NO2. The IUPAC name of this chemical is Hexadecylazanium acetate. With the CAS registry number 2016-52-6, it is also named as Hexadecan-1-aminium acetate. Besides, its molecular weight is 301.50776.
Physical properties about 1-Hexadecanamine, acetate are: (1)ACD/LogP: 7.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.21; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 168.32; (6)ACD/BCF (pH 7.4): 279.75; (7)ACD/KOC (pH 5.5): 179.92; (8)ACD/KOC (pH 7.4): 299.02; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 15; (12)Flash Point: 140.6 °C; (13)Enthalpy of Vaporization: 56.36 kJ/mol; (14)Boiling Point: 321.8 °C at 760 mmHg; (15)Vapour Pressure: 0.00029 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C16H35N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h2-17H2,1H3;1H3,(H,3,4)
(2)InChIKey: ANRCSZILOHNONR-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C16H35N.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2(3)4/h2-17H2,1H3;1H3,(H,3,4)
(4)Std. InChIKey: ANRCSZILOHNONR-UHFFFAOYSA-N