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1-(3-Nitrophenyl)piperazine

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Name

1-(3-Nitrophenyl)piperazine

EINECS N/A
CAS No. 54054-85-2 Density 1.222 g/cm3
PSA 61.09000 LogP 1.92140
Solubility N/A Melting Point 222-228 °C (decomp)
Formula C10H13N3O2 Boiling Point 377.468 °C at 760 mmHg
Molecular Weight 207.232 Flash Point 182.087 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 54054-85-2 (1-(3-Nitrophenyl)piperazine) Hazard Symbols N/A
Synonyms

1-(m-Nitrophenyl)piperazine;N-(3-Nitrophenyl)piperazine;

Article Data 19

1-(3-Nitrophenyl)piperazine Specification

The 1-(3-Nitrophenyl)piperazine, with the CAS registry number 54054-85-2, is also known as N-(3-Nitrophenyl)piperazine. This chemical's molecular formula is C10H13N3O2 and molecular weight is 207.23. What's more, its systematic name is 1-(3-Nitrophenyl)piperazine. This chemical is used as a pharmaceutical intermediates.

Physical properties of 1-(3-Nitrophenyl)piperazine are: (1)ACD/LogP: 1.205; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.52; (4)ACD/LogD (pH 7.4): 0.11; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 8.64; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.09 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 56.351 cm3; (15)Molar Volume: 169.576 cm3; (16)Polarizability: 22.339×10-24cm3; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.222 g/cm3; (19)Flash Point: 182.087 °C; (20)Enthalpy of Vaporization: 62.524 kJ/mol; (21)Boiling Point: 377.468 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(ccc1)N2CCNCC2
(2)Std. InChI: InChI=1S/C10H13N3O2/c14-13(15)10-3-1-2-9(8-10)12-6-4-11-5-7-12/h1-3,8,11H,4-7H2
(3)Std. InChIKey: LHHZRIYUOZPKSG-UHFFFAOYSA-N 

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