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CAS No.: | 65992-66-7 |
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Name: | N,N,N',N'-tetrakis(2,3-epoxypropyl)cyclohexane-1,3-dimethylamine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C20H34N2O4 |
Molecular Weight: | 366.501 |
Synonyms: | N,N,N,N-Tetrakis(2,3-epoxypropyl)cyclohexane-1,3-dimethylamine;1,3-Cyclohexanedimethanamine, N,N,N,N-tetrakis(oxiranylmethyl)-; |
EINECS: | 265-994-2 |
Density: | 1.181 g/cm3 |
Boiling Point: | 492.37 °C at 760 mmHg |
Flash Point: | 139.972 °C |
PSA: | 56.60000 |
LogP: | 0.99200 |
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The N-[[3-[(Bis(oxiran-2-ylmethyl)amino)methyl]cyclohexyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine, with the CAS registry number 65992-66-7, is also known as 1,3-Cyclohexanediylbis[N,N-bis(2-oxiranylmethyl)methanamine]. It belongs to the classification codes of TSCA Flag E [Subject to the Section 5(e) Consent Order of TSCA]; TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]; TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule) under TSCA]. Its EINECS registry number is 265-994-2. This chemical's molecular formula is C20H30N2O6 and molecular weight is 394.46. What's more, its IUPAC name is called 1-[3-[[Bis(oxiran-2-ylmethyl)amino]methyl]cyclohexyl]-N, N-bis(oxiran-2-ylmethyl)methanamine.
Physical properties about N-[[3-[(Bis(oxiran-2-ylmethyl)amino)methyl]cyclohexyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine are: (1)ACD/LogP: 1.502; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.58; (4)ACD/LogD (pH 7.4): -0.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.81; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 56.6 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 98.395 cm3; (15)Molar Volume: 310.341 cm3; (16)Polarizability: 39.007×10-24cm3; (17)Surface Tension: 55.696 dyne/cm; (18)Density: 1.181 g/cm3; (19)Flash Point: 139.972 °C; (20)Enthalpy of Vaporization: 75.929 kJ/mol; (21)Boiling Point: 492.37 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O1CC1CN(CC2OC2)CC5CCCC(CN(CC3OC3)CC4OC4)C5
(2) InChI: InChI=1S/C20H34N2O4/c1-2-15(5-21(7-17-11-23-17)8-18-12-24-18)4-16(3-1)6-22(9-19-13-25-19)10-20-14-26-20/h15-20H,1-14H2
(3) InChIKey: HASUCEDGKYJBDC-UHFFFAOYSA-N