1-(3-Methoxypropyl)-4-piperidone supplier

Name
1-(3-Methoxypropyl)piperidin-4-one
EINECS
CAS No. 16771-85-0
Density 1.002 g/cm³
Solubility
Melting Point
Formula C₉H₁₇NO₂
Boiling Point 266.209 °C at 760 mmHg
Molecular Weight 171.239
Flash Point 114.799 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Methoxypropyl)-4-piperidinone;
PSA 29.54000
LogP 0.62570

1-(3-Methoxypropyl)-4-piperidone Specification

The 4-Piperidinone, 1-(3-methoxypropyl)-, with the CAS registry number 16771-85-0, is also known as 1-(3-Methoxypropyl)-4-piperidone. This chemical's molecular formula is C₉H₁₇NO₂ and molecular weight is 171.24. What's more, its systematic name is called 1-(3-Methoxypropyl)-4-piperidinone.

Physical properties about 4-Piperidinone, 1-(3-methoxypropyl)- are: (1)ACD/LogP: -0.124; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.27; (4)ACD/LogD (pH 7.4): -0.59; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 6.90; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 47.093 cm³; (15)Molar Volume: 170.962 cm³; (16)Polarizability: 18.669×10^-24cm³; (17)Surface Tension: 33.973 dyne/cm; (18)Density: 1.002 g/cm³; (19)Flash Point: 114.799 °C; (20)Enthalpy of Vaporization: 50.417 kJ/mol; (21)Boiling Point: 266.209 °C at 760 mmHg; (22)Vapour Pressure: 0.0090 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCN(CCCOC)CC1
(2) InChI: InChI=1S/C9H17NO2/c1-12-8-2-5-10-6-3-9(11)4-7-10/h2-8H2,1H3
(3) InChIKey: QFWBXLYVHOMANN-UHFFFAOYSA-N

Product Name

1-(3-Methoxypropyl)piperidin-4-one

1-(3-Methoxypropyl)-4-piperidone Specification

Related Products

Hot Products