Molecular Structure of 5-Bromo-2-piperazin-1-yl-pyrimidine (CAS NO.99931-82-5):
Molecular Formula: C8H11BrN4
Molecular Weight: 243.1037
CAS NO: 99931-82-5
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 41.05 Å2
Index of Refraction: 1.584
Molar Refractivity: 53.678 cm3
Molar Volume: 160.367 cm3
Surface Tension: 52.24 dyne/cm
Density of 5-Bromo-2-piperazin-1-yl-pyrimidine (CAS NO.99931-82-5): 1.516 g/cm3
Flash Point: 185.696 °C
Enthalpy of Vaporization: 63.198 kJ/mol
Boiling Point: 383.436 °C at 760 mmHg
IUPAC Name: 5-Bromo-2-piperazin-1-ylpyrimidine
SMILES: c1c(cnc(n1)N2CCNCC2)Br
InChI: InChI=1/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
InChIKey: YHWLBBPOKRHVAR-UHFFFAOYAM
Std. InChI: InChI=1S/C8H11BrN4/c9-7-5-11-8(12-6-7)13-3-1-10-2-4-13/h5-6,10H,1-4H2
Std. InChIKey: YHWLBBPOKRHVAR-UHFFFAOYSA-N
Synonyms of 5-Bromo-2-piperazin-1-yl-pyrimidine (CAS NO.99931-82-5): Pyrimidine,5-bromo-2-(1-piperazinyl)-
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