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Bis(hexamethylenetriaminepenta(methylenephosphonic acid))

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Name

Bis(hexamethylenetriaminepenta(methylenephosphonic acid))

EINECS 252-156-6
CAS No. 34690-00-1 Density 1.606 g/cm3
PSA 346.42000 LogP 0.68920
Solubility 550g/L at 20℃ Melting Point N/A
Formula C17H44N3O15P5 Boiling Point 1002.7 °C at 760 mmHg
Molecular Weight 685.416 Flash Point 560.2 °C
Transport Information UN 3265 8/PG 3 Appearance Dark brown liquid
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 34690-00-1 (Bis(hexamethylenetriaminepenta(methylenephosphonic acid))) Hazard Symbols CorrosiveC
Synonyms

Phosphonicacid, [[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-(9CI);(Dihexyltriaminepenta(methylenephosphonic acid));Briquest 5123-45A;Dequest 2090;Dihexamethylenetriaminepentakis(methylenephosphonic acid);Lonza1704;Triaminodihexylenepentakis(methylenephosphonic acid);Unihib 1704;

Article Data 2

Bis(hexamethylenetriaminepenta(methylenephosphonic acid)) Specification

The Phosphonic acid,P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis-, with the CAS registry number 34690-00-1, is also known as [[(Phosphonomethyl)imino]bis[hexamethylenenitrilobis(methylene)]]tetrakisphosphonic acid. It belongs to the product categories of Organics; Phosphonate Antiscalant; Organic Building Blocks; Phosphonic/Phosphinic Acids; Phosphorus Compounds. Its EINECS registry number is 252-156-6. This chemical's molecular formula is C17H44N3O15P5 and molecular weight is 685.41. What's more, both its IUPAC name and systematic name are the same which is called [Bis[6-[bis(phosphonomethyl)amino]hexyl]amino]methylphosphonic acid. It is good water solubility and excellent thermal stability, high calcium ion tolerance in a wide PH range and 120 °C high temperature. The production is a efficient chelating scale inhibitor based on the carbonate and sulfate scale.

Physical properties about Phosphonic acid,P,P',P'',P'''-[[(phosphonomethyl)imino]bis[6,1-hexanediylnitrilobis(methylene)]]tetrakis- are: (1)ACD/LogP: -6.49; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -12.36; (4)ACD/LogD (pH 7.4): -16.87; (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: 18; (10)#H bond donors: 10; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 236.42 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 141.68 cm3; (15)Molar Volume: 426.7 cm3; (16)Surface Tension: 89.7 dyne/cm; (17)Density: 1.606 g/cm3; (18)Flash Point: 560.2 °C; (19)Enthalpy of Vaporization: 158.55 kJ/mol; (20)Boiling Point: 1002.7 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(O)(O)CN(CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CCCCCCN(CP(=O)(O)O)CP(=O)(O)O
(2) InChI: InChI=1S/C17H44N3O15P5/c21-36(22,23)13-18(9-5-1-3-7-11-19(14-37(24,25)26)15-38(27,28)29)10-6-2-4-8-12-20(16-39(30,31)32)17-40(33,34)35/h1-17H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)
(3) InChIKey: YWMWZKYVGNWJPU-UHFFFAOYSA-N

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