CAS No.1506-47-4,ETHYLIMINUM Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1506-47-4
Name:	ETHYLIMINUM
Article Data:	4

Formula:	C₁₀H₁₄N₄O₄
Molecular Weight:	254.246
Synonyms:	2,6-Piperazinedione,4,4'-ethylenedi- (7CI,8CI);1,2-Bis(3,5-dioxo-1-piperazinyl)ethane;Antimet;Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, N,N:N',N'-diimide;ICRF154;NSC 129942;4-[2-(3,5-Dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione;4,4'-Ethane-1,2-diyldipiperazine-2,6-dione;Ethyliminum;
Density:	1.361 g/cm³
Melting Point:	295-300 °C
Boiling Point:	539.9 °C at 760 mmHg
Flash Point:	280.3 °C
PSA:	98.82000
LogP:	-2.56340

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Specification

The 2,6-Piperazinedione,4,4'-(1,2-ethanediyl)bis-, with the CAS registry number 1506-47-4, is also known as 4,4'-Ethane-1,2-diyldipiperazine-2,6-dione. This chemical's molecular formula is C₁₀H₁₄N₄O₄ and molecular weight is 254.24. What's more, its IUPAC name is 4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione.

Physical properties of 2,6-Piperazinedione,4,4'-(1,2-ethanediyl)bis- are: (1)ACD/LogP: -0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.72; (4)ACD/LogD (pH 7.4): -0.72; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.63; (8)ACD/KOC (pH 7.4): 9.65; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 81.24 Å²; (13)Index of Refraction: 1.54; (14)Molar Refractivity: 58.58 cm³; (15)Molar Volume: 186.6 cm³; (16)Polarizability: 23.22×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.361 g/cm³; (19)Flash Point: 280.3 °C; (20)Enthalpy of Vaporization: 81.74 kJ/mol; (21)Boiling Point: 539.9 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-11 mmHg at 25°C.

Uses of 2,6-Piperazinedione,4,4'-(1,2-ethanediyl)bis-: it can be used to produce 4,4'-(1,2-ethanediyl)bis(1-hydroxymethyl-2,6-piperazinedione) at the temperature of 130 °C. It will need solvents dimethylformamide, H₂O with the reaction time of 1.5 hours. The yield is about 64.7%.

2,6-Piperazinedione,4,4'-(1,2-ethanediyl)bis- can be used to produce 4,4'-(1,2-ethanediyl)bis(1-hydroxymethyl-2,6-piperazinedione) at the temperature of 130 °C

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)NC(=O)CN1CCN2CC(=O)NC(=O)C2
(2)InChI: InChI=1S/C10H14N4O4/c15-7-3-13(4-8(16)11-7)1-2-14-5-9(17)12-10(18)6-14/h1-6H2,(H,11,15,16)(H,12,17,18)
(3)InChIKey: GBLIGNUYGOFIKS-UHFFFAOYSA-N