Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(1-Methyl-2-piperidinyl)acetone |
EINECS | N/A |
CAS No. | 18747-42-7 | Density | 0.92 g/cm3 |
PSA | 20.31000 | LogP | 1.38770 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H17NO | Boiling Point | 216.9 °C at 760 mmHg |
Molecular Weight | 155.24 | Flash Point | 66.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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; |
Article Data | 24 |
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