Product Name

  • Name

    ethyl (3-methylpent-1-yn-3-yl)carbamate

  • EINECS
  • CAS No. 6970-81-6
  • Density 0.976 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H15NO2
  • Boiling Point 241.7 °C at 760 mmHg
  • Molecular Weight 169.2209
  • Flash Point 100 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6970-81-6 (ethyl (3-methylpent-1-yn-3-yl)carbamate)
  • Hazard Symbols
  • Synonyms Ethyl (3-methylpent-1-yn-3-yl)carbamate;
  • PSA
  • LogP

Ethyl N-(3-methylpent-1-yn-3-yl)carbamate Specification

The Ethyl N-(3-methylpent-1-yn-3-yl)carbamate, with the CAS registry number 6970-81-6, is also known as Ethyl (3-methylpent-1-yn-3-yl)carbamate. This chemical's molecular formula is C9H15NO2 and molecular weight is 169.2209. What's more, its IUPAC name is Ethyl N-(3-methylpent-1-yn-3-yl)carbamate.

Physical properties about Ethyl N-(3-methylpent-1-yn-3-yl)carbamate are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 29.54 Å2; (7)Index of Refraction: 1.454; (8)Molar Refractivity: 46.9 cm3; (9)Molar Volume: 173.2 cm3; (10)Polarizability: 18.59×10-24 cm3; (11)Surface Tension: 33.5 dyne/cm; (12)Density: 0.976 g/cm3; (13)Flash Point: 100 °C; (14)Enthalpy of Vaporization: 47.86 kJ/mol; (15)Boiling Point: 241.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0354 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)NC(C#C)(CC)C
(2) InChI: InChI=1/C9H15NO2/c1-5-9(4,6-2)10-8(11)12-7-3/h1H,6-7H2,2-4H3,(H,10,11)
(3) InChIKey: JPUVKBJUXLQNNT-UHFFFAOYAJ

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