CAS No.67969-69-1,Diammonium N-ethylheptadecafluoro-N-[2-(phosphonatooxy)ethyl]octanesulfonamidate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67969-69-1
Name:	Diammonium N-ethylheptadecafluoro-N-[2-(phosphonatooxy)ethyl]octanesulfonamidate

Formula:	C₁₂H₁₇F₁₇N₃O₆PS
Molecular Weight:	685.29
Synonyms:	Perfluoro alkyl organic phosphate;
EINECS:	267-977-5
Density:	1.743g/cm3
Boiling Point:	422.1 °C at 760 mmHg
Flash Point:	209.1 °C
PSA:	127.99000
LogP:	7.42390

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Specification

The Diammonium N-ethylheptadecafluoro-N-[2-(phosphonatooxy)ethyl]octanesulfonamidate, with the CAS registry number of 67969-69-1, is also known as Perfluoro alkyl organic phosphate. It belongs to the product category of Organics. Its EINECS registry number is 267-977-5. This chemical's molecular formula is C₁₂H₁₇F₁₇N₃O₆PS and molecular weight is 685.29. What's more, its IUPAC name is Azane; 2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl dihydrogen phosphate. This chemical's classification code is TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA].

Physical properties about the Diammonium N-ethylheptadecafluoro-N-[2-(phosphonatooxy)ethyl]octanesulfonamidate are: (1)ACD/LogP: 7.78; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 3.5; (5)ACD/BCF (pH 5.5): 216.06; (6)ACD/BCF (pH 7.4): 25.21; (7)ACD/KOC (pH 5.5): 182.21; (8)ACD/KOC (pH 7.4): 21.26; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 100.33 Å²; (13)Flash Point: 209.1 °C; (14)Enthalpy of Vaporization: 74.18 kJ/mol; (15)Boiling Point: 422.1 °C at 760 mmHg; (16)Vapour Pressure: 2.61E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES:FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N(CCOP(=O)(O)O)CC.N.N
(2) InChI:InChI=1/C12H11F17NO6PS.2H3N/c1-2-30(3-4-36-37(31,32)33)38(34,35)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27;;/h2-4H2,1H3,(H2,31,32,33);2*1H3
(3) InChIKey:QANWDYJVELNYTF-UHFFFAOYAL