4-Piperidinone,1-(5-bromo-2-pyrimidinyl)- supplier

Name
1-(5-BROMOPYRIMIDIN-2-YL)-4-PIPERIDINONE
EINECS
CAS No. 914347-64-1
Density 1.592g/cm³
Solubility
Melting Point
Formula C₉H₁₀BrN₃O
Boiling Point 420.3 °C at 760 mmHg
Molecular Weight 256.0992
Flash Point 208 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-Bromopyrimidin-2-yl)-4-piperidinone;
PSA 46.09000
LogP 1.47340

4-Piperidinone,1-(5-bromo-2-pyrimidinyl)- Specification

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

Product Name

1-(5-BROMOPYRIMIDIN-2-YL)-4-PIPERIDINONE

4-Piperidinone,1-(5-bromo-2-pyrimidinyl)- Specification

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