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

Name
1-(5-BROMOPYRIMIDIN-2-YL)-4-PIPERIDINOL
EINECS
CAS No. 887425-47-0
Article Data7
CAS DataBase
Density 1.6g/cm³
Solubility
Melting Point
Formula C₉H₁₂BrN₃O
Boiling Point 418.5 °C at 760 mmHg
Molecular Weight 258.118
Flash Point 206.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-Bromo-2-pyrimidinyl)-4-piperidinol;
PSA 49.25000
LogP 1.26520

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

The 4-Piperidinol,1-(5-bromo-2-pyrimidinyl)-, with CAS registry number 887425-47-0, has the systematic name of 1-(5-bromopyrimidin-2-yl)piperidin-4-ol. Besides this, it is also called 1-(5-BRomopyrimidin-2-yl)-4-piperidinol. And the chemical formula of this chemical is C₉H₁₂BrN₃O.

Physical properties of 4-Piperidinol,1-(5-bromo-2-pyrimidinyl)-: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 38.25 Å²; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 56.53 cm³; (9)Molar Volume: 161.3 cm³; (10)Polarizability: 22.41×10^-24cm³; (11)Surface Tension: 64.9 dyne/cm; (12)Density: 1.6 g/cm³; (13)Flash Point: 206.9 °C; (14)Enthalpy of Vaporization: 70.85 kJ/mol; (15)Boiling Point: 418.5 °C at 760 mmHg; (16)Vapour Pressure: 9.42E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(nc1)N2CCC(O)CC2
(2)InChI: InChI=1/C9H12BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
(3)InChIKey: KHDDJQBUJMYKAY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C9H12BrN3O/c10-7-5-11-9(12-6-7)13-3-1-8(14)2-4-13/h5-6,8,14H,1-4H2
(5)Std. InChIKey: KHDDJQBUJMYKAY-UHFFFAOYSA-N

Product Name

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

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

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