5-Bromo-2-(pyrrolidin-3-yloxy)pyrimidine supplier

Name
5-BROMO-2-(PYRROLIDIN-3-YLOXY)PYRIMIDINE
EINECS
CAS No. 914347-82-3
Density 1.556 g/cm³
Solubility
Melting Point
Formula C₈H₁₀BrN₃O
Boiling Point 367.559 °C at 760 mmHg
Molecular Weight 244.09
Flash Point 176.094 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-2-pyrrolidin-3-yloxy-pyrimidine;pyrimidine, 5-bromo-2-(3-pyrrolidinyloxy)-;
PSA 47.04000
LogP 1.30860

5-Bromo-2-(pyrrolidin-3-yloxy)pyrimidine Specification

The 5-Bromo-2-(pyrrolidin-3-yloxy)pyrimidine, with the CAS registry number 914347-82-3, has the systematic name of 5-bromo-2-pyrrolidin-3-yloxy-pyrimidine. It belongs to the product categories of Pyrrole & Pyrrolidine & Pyrroline. And the molecular formula of the chemical is C₈H₁₀BrN₃O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 4.724; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 47.04 Å²; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 51.964 cm³; (13)Molar Volume: 156.868 cm³; (14)Polarizability: 20.6×10^-24cm³; (15)Surface Tension: 52.836 dyne/cm; (16)Density: 1.556 g/cm³; (17)Flash Point: 176.094 °C; (18)Enthalpy of Vaporization: 61.411 kJ/mol; (19)Boiling Point: 367.559 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c(cnc(n1)OC2CCNC2)Br
(2)InChI: InChI=1/C8H10BrN3O/c9-6-3-11-8(12-4-6)13-7-1-2-10-5-7/h3-4,7,10H,1-2,5H2
(3)InChIKey: OJLUWWFOZOXWOI-UHFFFAOYAE

Product Name

5-BROMO-2-(PYRROLIDIN-3-YLOXY)PYRIMIDINE

5-Bromo-2-(pyrrolidin-3-yloxy)pyrimidine Specification

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