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| CAS No.: | 112-99-2 |
|---|---|
| Name: | DIOCTADECYLAMINE |
| Molecular Structure: | |
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| Formula: | C36H75N |
| Molecular Weight: | 521.998 |
| Synonyms: | Dioctadecylamine(6CI,7CI,8CI);Armeen 2-18;Bis(octadecyl)amine;Di-n-octadecylamine;Distearylamine;Genamin SH 200; |
| EINECS: | 204-020-2 |
| Density: | 0.826 g/cm3 |
| Melting Point: | 71-73 °C |
| Boiling Point: | 582.764 °C at 760 mmHg |
| Flash Point: | 197.249 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 12.03000 |
| LogP: | 13.48990 |
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The 1-Octadecanamine,N-octadecyl-, with its CAS registry number 112-99-2, has the IUPAC name of N-octadecyloctadecan-1-amine. And it has the molecular formula of C36H75N and the molecular weight of 521.99. Being stable in normal temperature and pressure, it should be kept in the cool and well-ventilated place.
The characteristics of 1-Octadecanamine,N-octadecyl- are as follows: (1)ACD/LogP: 17.64; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 14.54; (4)ACD/LogD (pH 7.4): 14.7; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 34; (8)Polar Surface Area: 3.24 Å2; (9)Index of Refraction: 1.458; (10)Molar Refractivity: 172.42 cm3; (11)Molar Volume: 631.5 cm3; (12)Polarizability: 68.35×10-24cm3; (13)Surface Tension: 31.1 dyne/cm; (14)Density: 0.826 g/cm3; (15)Flash Point: 197.2 °C; (16)Enthalpy of Vaporization: 87.12 kJ/mol; (17)Boiling Point: 582.8 °C at 760 mmHg; (18)Vapour Pressure: 1.43E-13 mmHg at 25°C; (19)Exact Mass: 521.589951; (20)MonoIsotopic Mass: 521.589951; (21)Topological Polar Surface Area: 12; (22)Heavy Atom Count: 37; (23)Complexity: 332; (24)Covalently-Bonded Unit Count:1.
Production method of this chemical: Stearonitrile could react to produce 1-octadecanamine,N-octadecyl-, and this reaction happens in the reagent of nickel with the reaction temperature of 170 °C and the reaction pressure of 11032.6 in the condition of hydrogenation.
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Use of this chemical: 1-Octadecanamine,N-octadecyl- could react with acrylonitrile to produce 3-dioctadecylamino-propionitrile. And this reaction could happen in the condition of heating.
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When you are dealing with this chemical, you should be careful. For being irritating to eyes, respiratory system and skin, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing, and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1S/C36H75N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-
36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3
(3)InChIKey: HKUFIYBZNQSHQS-UHFFFAOYSA-N
