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Diethylammonium dihydrogen phosphate

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Name

Diethylammonium dihydrogen phosphate

EINECS 268-485-3
CAS No. 68109-72-8 Density N/A
PSA 99.60000 LogP 0.07810
Solubility N/A Melting Point 153-156 °C(lit.)
Formula C4H14NO4P Boiling Point 354.1 °C at 760 mmHg
Molecular Weight 171.133 Flash Point 168 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 68109-72-8 (DIETHYLAMINE PHOSPHATE) Hazard Symbols IrritantXi
Synonyms

Dwuetyloamina [Polish];6274-12-0;20726-63-0;N-ethylethanamine; phosphoric acid;Ethanamine, N-ethyl-, phosphate (1:1);14999-74-7;Diaethylamin [German];Dietilamina [Italian];660-68-4;26292-53-5;Ethanamine, N-ethyl-;Diethylammonium phosphate;Diethylamine [UN1154] [Flammable liquid];Diethamine;N-ethylethanamine;

Article Data 2

Diethylammonium dihydrogen phosphate Synthetic route

121-44-8

triethylamine

68109-72-8

diethylammonium dihydrogen phosphate

Conditions
ConditionsYield
With phosphoric acid at 60 - 70℃; for 2h;97%
109-89-7

diethylamine

68109-72-8

diethylammonium dihydrogen phosphate

Conditions
ConditionsYield
With phosphoric acid In water at 60 - 70℃;

Diethylammonium dihydrogen phosphate Specification

This chemical is called Diethylammonium dihydrogen phosphate, and its IUPAC name is N-ethylethanamine; phosphoric acid. With the molecular formula of C4H14NO4P, its molecular weight is 171.13. The CAS registry number of this chemical is 68109-72-8.

Other characteristics of the Diethylammonium dihydrogen phosphate can be summarised as followings: (1)# of Rule of 5 Violations: 0 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 112.67 Å2; (10)Flash Point: 168 °C; (11)Enthalpy of Vaporization: 65.82 kJ/mol; (12)Boiling Point: 354.1 °C at 760 mmHg; (13)Vapour Pressure: 5.74E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: CC[NH2+]CC.[O-]P([O-])([O-])=O
2.InChI: InChI=1/C4H11N.H3O4P/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)/p-2
3.InChIKey: ASLNLSYDVOWAFS-NUQVWONBAH
4.Std. InChI: InChI=1S/C4H11N.H3O4P/c1-3-5-4-2;1-5(2,3)4/h5H,3-4H2,1-2H3;(H3,1,2,3,4)/p-2

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