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CAS No.: 112-99-2
Name: DIOCTADECYLAMINE
Article Data: 36
Molecular Structure:
Molecular Structure of 112-99-2 (DIOCTADECYLAMINE)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 12.03000
LogP: 13.48990
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    112-99-2

    dioctadecylamine

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    CFTC?PharmaChem?is?a?service?based?company?in?China,?a?pharmachem?division?of?Changzhou?Foreign?Trade?Corp.,supplying?raw?materials,?intermediates,?APIs?and?fine?chemicals?for?the?pharmaceutical?and?specialty?chemical?industries?worldwide. Applicatio

    CFTC PharmaChem is a service based company in China, a pharmachem division of Changzhou Foreign Trade Corp.,supplying raw materials, intermediates, APIs and fine chemicals for the

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    Tel:+86-519-86623222

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  • Dioctadecylamine

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    112-99-2

    Dioctadecylamine

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    Shanghai Macklin Biochemical Co., Ltd is a leading manufacturer and supplier for high-end research reagents. We aim to provide technology and industrial customers throughout the wo

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  • Dioctadecylamine

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    112-99-2

    Dioctadecylamine

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    Dioctadecylamine (DODA), a secondary amine, is a fatty amine derivative. Its biodegradation potential has been assessed. It has been observed that in aqueous medium DODA self organizes into plate like structures. Its partial charge distribution as a

    At Sigma-Aldrich, our purpose is to solve the toughest problems in life science by collaborating with the global scientific community – and through that, we aim to accelerate acces

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  • 1-Octadecanamine,N-octadecyl-

  • Casno:

    112-99-2

    1-Octadecanamine,N-octadecyl-

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    The Company ChemSynergy AG was founded in Meerbusch, Germany in early 2000. Its management has a distinguished and worldwide reputation throughout

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Specification

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.

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.

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