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Acetamide,2-chloro-N-2-propen-1-yl-

  • Name Acetamide,2-chloro-N-2-propen-1-yl-
  • EINECSN/A
  • CAS No. 13269-97-1
  • Density1.081g/cm3
  • PSA29.10000
  • LogP0.91830
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC5H8ClNO
  • Boiling Point270.3 °C at 760 mmHg
  • Molecular Weight133.578
  • Flash Point117.3 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 13269-97-1 (N-(CHLOROACETYL)ALLYLAMINE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data17

Acetamide,2-chloro-N-2-propen-1-yl- Specification

The Acetamide,2-chloro-N-2-propen-1-yl-, with CAS registry number 13269-97-1, has the systematic name of 2-chloro-N-(prop-2-en-1-yl)acetamide. Besides this, it is also called N-(Chloroacetyl)allylamine. And the chemical formula of this chemical is C5H8ClNO.

Physical properties of Acetamide,2-chloro-N-2-propen-1-yl-: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.09; (8)ACD/KOC (pH 7.4): 25.09; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 33.41 cm3; (15)Molar Volume: 123.4 cm3; (16)Polarizability: 13.24×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 117.3 °C; (20)Enthalpy of Vaporization: 50.85 kJ/mol; (21)Boiling Point: 270.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00688 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)NC\C=C
(2)InChI: InChI=1/C5H8ClNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
(3)InChIKey: AZOOMRDAGOXGNJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C5H8ClNO/c1-2-3-7-5(8)4-6/h2H,1,3-4H2,(H,7,8)
(5)Std. InChIKey: AZOOMRDAGOXGNJ-UHFFFAOYSA-N

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