1-(3-Nitrophenyl)piperazine supplier

Name
1-(3-Nitrophenyl)piperazine
EINECS
CAS No. 54054-85-2
Article Data19
CAS DataBase
Density 1.222 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(m-Nitrophenyl)piperazine;N-(3-Nitrophenyl)piperazine;
PSA 61.09000
LogP 1.92140

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

Product Name

1-(3-Nitrophenyl)piperazine

1-(3-Nitrophenyl)piperazine Specification

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