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CAS No.: | 6283-45-0 |
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Name: | 1-(10H-phenothiazin-10-yl)decan-1-one |
Molecular Structure: | |
Formula: | C22H27NOS |
Molecular Weight: | 353.52 |
Synonyms: | 10H-Phenothiazine,10-(1-oxodecyl)- (9CI);NSC 7507;1-(10H-Phenothiazin-10-yl)decan-1-one; |
Density: | 1.105 g/cm3 |
Boiling Point: | 538.3 °C at 760 mmHg |
Flash Point: | 279.4 °C |
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The 1-Decanone,1-(10H-phenothiazin-10-yl)-, with the CAS registry number 6283-45-0, is also known as 10H-Phenothiazine,10-(1-oxodecyl)- (9CI). This chemical's molecular formula is C22H27NOS and molecular weight is 353.52. What's more, its systematic name is 1-(10H-phenothiazin-10-yl)decan-1-one.
Physical properties of 1-Decanone,1-(10H-phenothiazin-10-yl)- are: (1)ACD/LogP: 6.74; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 45.61 Å2; (7)Index of Refraction: 1.584; (8)Molar Refractivity: 107.18 cm3; (9)Molar Volume: 319.9 cm3; (10)Polarizability: 42.48×10-24cm3; (11)Surface Tension: 45 dyne/cm; (12)Density: 1.105 g/cm3; (13)Flash Point: 279.4 °C; (14)Enthalpy of Vaporization: 81.55 kJ/mol; (15)Boiling Point: 538.3 °C at 760 mmHg; (16)Vapour Pressure: 1.17E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N1c3c(Sc2c1cccc2)cccc3)CCCCCCCCC
(2)InChI: InChI=1S/C22H27NOS/c1-2-3-4-5-6-7-8-17-22(24)23-18-13-9-11-15-20(18)25-21-16-12-10-14-19(21)23/h9-16H,2-8,17H2,1H3
(3)InChIKey: ZPPQVFYOFYVDHL-UHFFFAOYSA-N