Basic Information | Post buying leads | Suppliers |
Name |
4-Piperidinone,1-(5-bromo-2-pyrimidinyl)- |
EINECS | N/A |
CAS No. | 914347-64-1 | Density | 1.592g/cm3 |
PSA | 46.09000 | LogP | 1.47340 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H10BrN3O | Boiling Point | 420.3 °C at 760 mmHg |
Molecular Weight | 256.0992 | Flash Point | 208 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(5-Bromopyrimidin-2-yl)-4-piperidinone; |
The 4-Piperidinone,1-(5-bromo-2-pyrimidinyl)-, with CAS registry number 914347-64-1, has the systematic name of 1-(5-bromopyrimidin-2-yl)piperidin-4-one. This chemical belongs to the following product category: Piperidine. And the chemical formula of this chemical is C9H10BrN3O.
Physical properties of 4-Piperidinone,1-(5-bromo-2-pyrimidinyl)-: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 46.09 Å2; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 55.07 cm3; (11)Molar Volume: 160.8 cm3; (12)Polarizability: 21.83×10-24cm3; (13)Surface Tension: 60.2 dyne/cm; (14)Enthalpy of Vaporization: 67.41 kJ/mol; (15)Vapour Pressure: 2.85E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc(n1)N2CCC(=O)CC2)Br
(2)InChI: InChI=1/C9H10BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6H,1-4H2
(3)InChIKey: YMCZXCIBGNKAQX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C9H10BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6H,1-4H2
(5)Std. InChIKey: YMCZXCIBGNKAQX-UHFFFAOYSA-N