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153466-03-6

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Basic Information
CAS No.: 153466-03-6
Name: PYRIMIDINE, 5-NITRO-2-(1-PIPERAZINYL)-
Molecular Structure:
Molecular Structure of 153466-03-6 (PYRIMIDINE, 5-NITRO-2-(1-PIPERAZINYL)-)
Formula: C8H11N5O2
Molecular Weight: 209.208
Synonyms: 5-Nitro-2-piperazin-1-ylpyrimidine;
Density: 1.34 g/cm3
Boiling Point: 421.7 °C at 760 mmHg
Flash Point: 208.8 °C
PSA: 86.87000
LogP: 0.71140
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    5-nitro-2-(1-piperazinyl)pyrimidine

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Specification

The Pyrimidine, 5-nitro-2-(1-piperazinyl)- has CAS registry number 153466-03-6. This chemical's molecular formula is C8H11N5O2 and molecular weight is 209.208. What's more, its systematic name is 5-Nitro-2-piperazin-1-ylpyrimidine.

Physical properties about Pyrimidine, 5-nitro-2-(1-piperazinyl)- are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.64; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.63; (6)ACD/KOC (pH 5.5): 1.63; (7)ACD/KOC (pH 7.4): 43.8; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 86.87 Å2; (12)Index of Refraction: 1.588; (13)Molar Refractivity: 52.53 cm3; (14)Molar Volume: 156 cm3; (15)Polarizability: 20.82×10-24 cm3; (16)Surface Tension: 61.6 dyne/cm; (17)Density: 1.34 g/cm3; (18)Flash Point: 208.8 °C; (19)Enthalpy of Vaporization: 67.58 kJ/mol; (20)Boiling Point: 421.7 °C at 760 mmHg; (21)Vapour Pressure: 2.55E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cnc(nc1)N2CCNCC2
(2) InChI: InChI=1/C8H11N5O2/c14-13(15)7-5-10-8(11-6-7)12-3-1-9-2-4-12/h5-6,9H,1-4H2
(3) InChIKey: XNOCXWZSVVSETC-UHFFFAOYAS