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98448-79-4

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Basic Information
CAS No.: 98448-79-4
Name: N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide
Molecular Structure:
Molecular Structure of 98448-79-4 (N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide)
Formula: C5H7F3N2O
Molecular Weight: 168.11700
Synonyms: N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide
Density: 1.37
Boiling Point: 223oC
Flash Point: 88 ºC
PSA: 41.13000
LogP: 0.35640
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Chemistry

Molecular Structure of N-(Azetidin-3-yl)-2,2,2-trifluoroacetamide (CAS No.98448-79-4):

Molecular Formula: C5H7F3N2O
Molecular Weight: 168.12
CAS No: 98448-79-4
H bond acceptors: 3
H bond donors: 2
Freely Rotating Bonds: 1
Polar Surface Area: 41.13 Å2
Index of Refraction: 1.419
Molar Refractivity: 30.91 cm3
Molar Volume: 122.3 cm3
Surface Tension: 29 dyne/cm
Density: 1.37 g/cm3
Flash Point: 88.5 °C
Enthalpy of Vaporization: 45.92 kJ/mol
Boiling Point: 222.7 °C at 760 mmHg
Vapour Pressure: 0.0999 mmHg at 25°C
Systematic Name: N-Azetidin-3-yl-2,2,2-trifluoroacetamide
InChI: InChI=1/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11)
InChIKey: BIRMYAUDHMGEME-UHFFFAOYAT
Std. InChI: InChI=1S/C5H7F3N2O/c6-5(7,8)4(11)10-3-1-9-2-3/h3,9H,1-2H2,(H,10,11)
Std. InChIKey: BIRMYAUDHMGEME-UHFFFAOYSA-N