Product Name

  • Name

    hexyl 1-[(2-{[(hexyloxy)carbonyl]oxy}ethyl)amino]-1-oxopropan-2-yl carbonate

  • EINECS
  • CAS No. 6280-25-7
  • Density 1.057 g/cm3
  • Solubility
  • Melting Point
  • Formula C19H35NO7
  • Boiling Point 504.3 °C at 760 mmHg
  • Molecular Weight 389.489
  • Flash Point 258.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6280-25-7 (hexyl 1-[(2-{[(hexyloxy)carbonyl]oxy}ethyl)amino]-1-oxopropan-2-yl carbonate)
  • Hazard Symbols
  • Synonyms Carbonicacid, hexyl ester, diester with N-(2-hydroxyethyl)lactamide (8CI);NSC 11087;
  • PSA
  • LogP

2,8,10-Trioxa-5-azahexadecanoicacid, 3-methyl-4,9-dioxo-, hexyl ester Specification

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

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