Diisopropylethylamine trihydrofluoride supplier

Name
Diisopropylethylamine trihydrofluoride
EINECS
CAS No. 131600-43-6
Article Data1
CAS DataBase
Density 0.965
Solubility
Melting Point
Formula C₈H₂₂F₃N
Boiling Point 126.5 °C at 760 mmHg
Molecular Weight 189.265
Flash Point 10.6 °C
Transport Information
Appearance
Safety S26-36/37/39-45-7/9
Risk Codes R26/27/28-35
Molecular Structure
Hazard Symbols T+
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);
PSA 3.24000
LogP 3.72320

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

Product Name

Diisopropylethylamine trihydrofluoride

Diisopropylethylamine trihydrofluoride Specification

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