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CAS No.: | 69966-83-2 |
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Name: | 4-CHLORO-1-MORPHOLIN-4-YL-1-BUTANONE |
Article Data: | 3 |
Molecular Structure: | |
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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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