Basic Information | Post buying leads | Suppliers | Cas Database |
The IUPAC name of 1-Isobutyl-4-piperidone is 1-(2-methylpropyl)piperidin-4-one. With the CAS registry number 72544-16-2, it is also named as 4-Piperidinone,1-(2-methylpropyl)-. The product's categories are Intermediate of Rifabutin; API Intermediates; Building Blocks; Heterocyclic Building Blocks; Piperidones. Besides, it is colorless to yellow liquid, which should be stored in sealed containers in a cool, dry place at 2-8 º C. In addition, its molecular formula is C9H17NO and molecular weight is 155.24.
The other characteristics of 1-Isobutyl-4-piperidone can be summarized as: (1)EINECS: 276-712-2; (2)ACD/LogP: 1.06; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -1.3; (5)ACD/LogD (pH 7.4): 0.41; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 20.18; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 20.31 Å2; (14)Index of Refraction: 1.461; (15)Molar Refractivity: 45.3 cm3; (16)Molar Volume: 164.9 cm3; (17)Polarizability: 17.96×10-24cm3; (18)Surface Tension: 31.3 dyne/cm; (19)Density: 0.94 g/cm3; (20)Flash Point: 88.3 °C; (21)Enthalpy of Vaporization: 47 kJ/mol; (22)Boiling Point: 233.3 °C at 760 mmHg; (23)Vapour Pressure: 0.0563 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1CCN(CC(C)C)CC1
(2)InChI: InChI=1/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
(3)InChIKey: KMTASGXMTBUSSP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H17NO/c1-8(2)7-10-5-3-9(11)4-6-10/h8H,3-7H2,1-2H3
(5)Std. InChIKey: KMTASGXMTBUSSP-UHFFFAOYSA-N