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| CAS No.: | 18747-42-7 |
|---|---|
| Name: | 1-(1-Methyl-2-piperidinyl)acetone |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H17NO |
| Molecular Weight: | 155.24 |
| Synonyms: | 1-(1-Methyl-2-piperidinyl)acetone;Isopelletierine, N-methyl- (7CI);1-(1-Methylpiperidin-2-yl)propan-2-one;Acetone, (1-methyl-2-piperidyl)-;Methylisopunicine;N-Methylisopelletierine; |
| Density: | 0.92 g/cm3 |
| Boiling Point: | 216.9 °C at 760 mmHg |
| Flash Point: | 66.9 °C |
| PSA: | 20.31000 |
| LogP: | 1.38770 |
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Specification
The 2-Propanone,1-(1-methyl-2-piperidinyl)-, with the CAS registry number 18747-42-7, is also known as 1-(1-Methyl-2-piperidinyl)acetone. This chemical's molecular formula is C9H17NO and molecular weight is 155.24. What's more, its systematic name is 1-(1-Methylpiperidin-2-yl)propan-2-one.
Physical properties of 2-Propanone,1-(1-methyl-2-piperidinyl)- are: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.16; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.07; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 45.32 cm3; (15)Molar Volume: 168.7 cm3; (16)Polarizability: 17.96×10-24 cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.92 g/cm3; (19)Flash Point: 66.9 °C; (20)Enthalpy of Vaporization: 45.32 kJ/mol; (21)Boiling Point: 216.9 °C at 760 mmHg; (22)Vapour Pressure: 0.137 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC1N(C)CCCC1)C
(2)InChI: InChI=1S/C9H17NO/c1-8(11)7-9-5-3-4-6-10(9)2/h9H,3-7H2,1-2H3
(3)InChIKey: TYHJMEIBGDDCPA-UHFFFAOYSA-N