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Name |
Ethanone, 1-(cyclopropyl-2,2,3,3-d4)- |
EINECS | N/A |
CAS No. | 350818-63-2 | Density | 1.043 g/cm3 |
PSA | 17.07000 | LogP | 0.98540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H4D4O | Boiling Point | 114.195 °C at 760 mmHg |
Molecular Weight | 88.14 | Flash Point | 21.111 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethanone,1-(cyclopropyl-2,2,3,3-d4)- (9CI);1-[(2,2,3,3-2H4)Cyclopropyl]ethanone;Cyclopropyl-2,2,3,3-d4 methyl ketone; |
The Ethanone, 1-(cyclopropyl-2,2,3,3-d4)-, with the CAS registry number 350818-63-2, is also known as Cyclopropyl-2,2,3,3-d4 methyl ketone. This chemical's molecular formula is C5H4D4O and molecular weight is 88.14. What's more, its systematic name is 1-[(2,2,3,3-2H4)Cyclopropyl]ethanone.
Physical properties of Ethanone, 1-(cyclopropyl-2,2,3,3-d4)- are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.349; (4)ACD/LogD (pH 7.4): 0.349; (5)ACD/BCF (pH 5.5): 1.085; (6)ACD/BCF (pH 7.4): 1.085; (7)ACD/KOC (pH 5.5): 36.89; (8)ACD/KOC (pH 7.4): 36.89; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.458; (14)Molar Refractivity: 23.04 cm3; (15)Molar Volume: 84.49 cm3; (16)Polarizability: 9.134×10-24cm3; (17)Surface Tension: 33.812 dyne/cm; (18)Density: 1.043 g/cm3; (19)Flash Point: 21.111 °C; (20)Enthalpy of Vaporization: 34.07 kJ/mol; (21)Boiling Point: 114.195 °C at 760 mmHg; (22)Vapour Pressure: 20.121 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C1(C(C1([2H])[2H])C(=O)C)[2H]
(2)InChI: InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3/i2D2,3D2
(3)InChIKey: HVCFCNAITDHQFX-RRVWJQJTSA-N