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Diisopropylethylamine trihydrofluoride

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Name

Diisopropylethylamine trihydrofluoride

EINECS N/A
CAS No. 131600-43-6 Density 0.965
PSA 3.24000 LogP 3.72320
Solubility N/A Melting Point N/A
Formula C8H22F3N Boiling Point 126.5 °C at 760 mmHg
Molecular Weight 189.265 Flash Point 10.6 °C
Transport Information N/A Appearance N/A
Safety S26-36/37/39-45-7/9 Risk Codes R26/27/28-35
Molecular Structure Molecular Structure of 131600-43-6 (Diisopropylethylamine trihydrofluoride) Hazard Symbols VeryT+
Synonyms

2-Propanamine,N-ethyl-N-(1-methylethyl)-, trihydrofluoride (9CI);Diisopropylethylamine trihydrofluoride;Ethyldiisopropylamine trihydrofluoride;N-Ethyl-N-(1-methylethyl)-2-propanaminetrihydrofluoride;N-Ethyldiisopropylamine tris(hydrofluoride);

Article Data 1

Diisopropylethylamine trihydrofluoride Specification

The Diisopropylethylamine trihydrofluoride with cas registry number of 131600-43-6,  has the systematic name of N-ethyl-N-(propan-2-yl)propan-2-aminium fluoride hydrofluoride (1:1:2). And it is also called N-Ethyl-N-isopropylpropan-2-amine trihydrofluoride.

Physical properties about this chemical are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.75; (4)ACD/LogD (pH 7.4): -0.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Enthalpy of Vaporization: 36.43 kJ/mol; (14)Vapour Pressure: 11.6 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Diisopropylethylamine trihydrofluoride  is very  toxic by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Besides this, this chemical may cause severe burns. So keep its container tightly closed and in a well-ventilated place.

You can still convert the following datas into molecular structure:
(1)SMILES: [F-].F.F.CC([NH+](C(C)C)CC)C
(2)InChI: InChI=1/C8H19N.3FH/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;3*1H
(3)InChIKey: AJRRXKJZYYBJPY-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H19N.3FH/c1-6-9(7(2)3)8(4)5;;;/h7-8H,6H2,1-5H3;3*1H
(5)Std. InChIKey: AJRRXKJZYYBJPY-UHFFFAOYSA-N

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