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| CAS No.: | 23491-48-7 |
|---|---|
| Name: | 5-(4-Methylpiperazin-1-yl)-2-nitroaniline |
| Article Data: | 50 |
| Molecular Structure: | |
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| Formula: | C11H16N4O2 |
| Molecular Weight: | 236.274 |
| Synonyms: | Piperazine,1-(3-amino-4-nitrophenyl)-4-methyl- (8CI);1-(3-Amino-4-nitrophenyl)-4-methylpiperazine;2-Nitro-5-(4-methylpiperazino)phenylamine;5-(4-Methyl-1-piperazinyl)-2-nitroaniline;[5-(4-Methylpiperazin-1-yl)-2-nitrophenyl]amine;5-(4-methylpiperazino)-2-nitroaniline;5-(4-Methylpiperazin-1-yl)-2-nitrophenylamine; |
| Density: | 1.264 g/cm3 |
| Melting Point: | 152-155 °C |
| Boiling Point: | 444.2 °C at 760 mmHg |
| Flash Point: | 222.4 °C |
| Hazard Symbols: |
 Xi
|
| Safety: | 24/25 |
| PSA: | 78.32000 |
| LogP: | 2.03610 |
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Specification
The Benzenamine,5-(4-methyl-1-piperazinyl)-2-nitro-, with CAS registry number 23491-48-7, belongs to the following product categories: (1)API intermediates; (2)Piperazidine intermediates; (3)Piperazines. It has the systematic name of 5-(4-methylpiperazin-1-yl)-2-nitro-aniline. And the chemical formula of this chemical is C11H16N4O2.
Physical properties of Benzenamine,5-(4-methyl-1-piperazinyl)-2-nitro-: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.434; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.463; (6)ACD/KOC (pH 5.5): 3.922; (7)ACD/KOC (pH 7.4): 115.69; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 78.32 Å2; (12)Index of Refraction: 1.618; (13)Molar Refractivity: 65.514 cm3; (14)Molar Volume: 186.877 cm3; (15)Polarizability: 25.972×10-24cm3; (16)Surface Tension: 56.401 dyne/cm; (17)Enthalpy of Vaporization: 70.194 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCN(CC1)c2ccc(c(c2)N)N(=O)=O
(2)InChI: InChI=1/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
(3)InChIKey: MWLBMGPQZJDFKZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
(5)Std. InChIKey: MWLBMGPQZJDFKZ-UHFFFAOYSA-N