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1H-1,4-Diazepine,hexahydro-1-(5-nitro-2-pyridinyl)-

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Name

1H-1,4-Diazepine,hexahydro-1-(5-nitro-2-pyridinyl)-

EINECS
CAS No. 287114-27-6 Density 1.23 g/cm3
Solubility Melting Point 111 °C
Formula C10H14N4O2 Boiling Point 421.8 °C at 760 mmHg
Molecular Weight 222.24 Flash Point 208.9 °C
Transport Information 2921 Appearance
Safety 16-26-36 Risk Codes 10-34
Molecular Structure Molecular Structure of 287114-27-6 (1H-1,4-Diazepine,hexahydro-1-(5-nitro-2-pyridinyl)-) Hazard Symbols IrritantXi
Synonyms

BUTTPARK 96\08-74;1-(5-Nitro-2-pyridyl)-1,4-diazepane;1-(5-Nitropyridin-2-yl)homopiperazine;1-(5-Nitropyrid-2-yl)homopiperazine;

 

1H-1,4-Diazepine,hexahydro-1-(5-nitro-2-pyridinyl)- Specification

The CAS register number of 1H-1,4-Diazepine,hexahydro-1-(5-nitro-2-pyridinyl)- is 287114-27-6. It also can be called as 1-(5-Nitropyridin-2-yl)homopiperazine and the IUPAC name about this chemical is 1-(5-nitropyridin-2-yl)-1,4-diazepane. The molecular formula about this chemical is C10H14N4O2 and the molecular weight is 222.24.

Physical properties about 1H-1,4-Diazepine,hexahydro-1-(5-nitro-2-pyridinyl)- are: (1)ACD/LogP: 1.21; (2)ACD/LogD (pH 5.5): -1.88; (3)ACD/LogD (pH 7.4): -1.32; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 65.19 Å2; (12)Index of Refraction: 1.567; (13)Molar Refractivity: 59.05 cm3; (14)Molar Volume: 180.5 cm3; (15)Polarizability: 23.41x10-24cm3; (16)Surface Tension: 50.6 dyne/cm; (17)Density: 1.23 g/cm3; (18)Flash Point: 208.9 °C; (19)Enthalpy of Vaporization: 67.59 kJ/mol; (20)Boiling Point: 421.8 °C at 760 mmHg; (21)Vapour Pressure: 2.54E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable and it may cause burns and inflammation to the skin or other mucous membranes. If you want to use this chemical, please wear suitable protective clothing. If you want to store it, keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(nc1)N2CCCNCC2
(2)InChI: InChI=1/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2
(3)InChIKey: HVIKXFXKZFWDTQ-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2
(5)Std. InChIKey: HVIKXFXKZFWDTQ-UHFFFAOYSA-N

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