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69966-83-2

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Basic Information
CAS No.: 69966-83-2
Name: 4-CHLORO-1-MORPHOLIN-4-YL-1-BUTANONE
Article Data: 3
Molecular Structure:
Molecular Structure of 69966-83-2 (4-CHLORO-1-MORPHOLIN-4-YL-1-BUTANONE)
Formula: C8H14ClNO2
Molecular Weight: 191.66
Synonyms: Morpholine,4-(4-chloro-1-oxobutyl)- (9CI);Morpholine, 4-(4-chlorobutyryl)- (6CI,7CI);3-Morpholinocarbonylpropyl chloride;4-(4-Chlorobutyryl)morpholine;
Density: 1.167 g/cm3
Boiling Point: 337.3 °C at 760 mmHg
Flash Point: 157.8 °C
PSA: 29.54000
LogP: 0.80210
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Specification

The CAS register number of 1-Butanone,4-chloro-1-(4-morpholinyl)- is 69966-83-2. It also can be called as 4-Chloro-1-(morpholin-4-yl)butan-1-one and the IUPAC name about this chemical is 4-chloro-1-morpholin-4-ylbutan-1-one. The molecular formula about this chemical is C8H14ClNO2 and the molecular weight is 191.66.

Physical properties about 1-Butanone,4-chloro-1-(4-morpholinyl)- are: (1)ACD/LogP: 0.66; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 29.54Å2; (5)Index of Refraction: 1.483; (6)Molar Refractivity: 46.93 cm3; (7)Molar Volume: 164.2 cm3; (8)Polarizability: 18.6x10-24cm3; (9)Surface Tension: 39.4 dyne/cm; (10)Flash Point: 157.8 °C; (11)Enthalpy of Vaporization: 58.05 kJ/mol; (12)Boiling Point: 337.3 °C at 760 mmHg; (13)Vapour Pressure: 0.000106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1CCOCC1)CCCCl
(2)InChI: InChI=1/C8H14ClNO2/c9-3-1-2-8(11)10-4-6-12-7-5-10/h1-7H2
(3)InChIKey: AJRKKVHASMCUJC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H14ClNO2/c9-3-1-2-8(11)10-4-6-12-7-5-10/h1-7H2
(5)Std. InChIKey: AJRKKVHASMCUJC-UHFFFAOYSA-N