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CAS No.: | 6280-25-7 |
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Name: | hexyl 1-[(2-{[(hexyloxy)carbonyl]oxy}ethyl)amino]-1-oxopropan-2-yl carbonate |
Molecular Structure: | |
Formula: | C19H35NO7 |
Molecular Weight: | 389.489 |
Synonyms: | Carbonicacid, hexyl ester, diester with N-(2-hydroxyethyl)lactamide (8CI);NSC 11087; |
Density: | 1.057 g/cm3 |
Boiling Point: | 504.3 °C at 760 mmHg |
Flash Point: | 258.8 °C |
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The 2, 8, 10-Trioxa-5-azahexadecanoicacid, 3-methyl-4, 9-dioxo-, hexyl ester, with the CAS registry number of 6280-25-7, is also known as NSC 11087. This chemical's molecular formula is C19H35NO7 and molecular weight is 389.4837. What's more, its IUPAC name is [1-(2-Hexoxycarbonyloxyethylamino)-1-oxopropan-2-yl] hexyl carbonate.
Physical properties about 2, 8, 10-Trioxa-5-azahexadecanoicacid, 3-methyl-4, 9-dioxo-, hexyl ester are: (1)ACD/LogP: 4.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 8; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 19; (6)Polar Surface Area: 91.37 Å2; (7)Index of Refraction: 1.459; (8)Molar Refractivity: 100.69 cm3; (9)Molar Volume: 368.1 cm3; (10)Polarizability: 39.91×10-24 cm3; (11)Surface Tension: 36.8 dyne/cm; (12)Density: 1.057 g/cm3; (13)Flash Point: 258.8 °C; (14)Enthalpy of Vaporization: 77.37 kJ/mol; (15)Boiling Point: 504.3 °C at 760 mmHg; (16)Vapour Pressure: 2.7E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCCCC)OCCNC(=O)C(OC(=O)OCCCCCC)C
(2) InChI: InChI=1/C19H35NO7/c1-4-6-8-10-13-24-18(22)26-15-12-20-17(21)16(3)27-19(23)25-14-11-9-7-5-2/h16H,4-15H2,1-3H3,(H,20,21)
(3) InChIKey: HSMLJLDRTDMWRF-UHFFFAOYAD