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CAS No.: | 163704-72-1 |
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Name: | 2,6-DIISOPROPYL-4-NITROANILINE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C12H18N2O2 |
Molecular Weight: | 222.287 |
Synonyms: | 2,6-Diisopropyl-4-nitroaniline;2,6-Bis(1-methylethyl)-4-nitroaniline;4-Nitro-2,6-di(propan-2-yl)aniline; |
Density: | 1.091 g/cm3 |
Melting Point: | 125-126 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3)) |
Boiling Point: | 333 °C at 760 mmHg |
Flash Point: | 155.2 °C |
PSA: | 71.84000 |
LogP: | 4.52820 |
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The Benzenamine,2,6-bis(1-methylethyl)-4-nitro-, with the CAS registry number 163704-72-1, is also known as 2,6-Bis(1-methylethyl)-4-nitroaniline. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C12H18N2O2 and molecular weight is 222.28. What's more, its IUPAC name is 4-nitro-2,6-di(propan-2-yl)aniline.
Physical properties of Benzenamine,2,6-bis(1-methylethyl)-4-nitro- are: (1)ACD/LogP: 4.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.07; (4)ACD/LogD (pH 7.4): 4.07; (5)ACD/BCF (pH 5.5): 726.77; (6)ACD/BCF (pH 7.4): 726.79; (7)ACD/KOC (pH 5.5): 3888.57; (8)ACD/KOC (pH 7.4): 3888.63; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 65.4 cm3; (15)Molar Volume: 203.7 cm3; (16)Polarizability: 25.92×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.091 g/cm3; (19)Flash Point: 155.2 °C; (20)Enthalpy of Vaporization: 57.58 kJ/mol; (21)Boiling Point: 333 °C at 760 mmHg; (22)Vapour Pressure: 0.000141 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC(=CC(=C1N)C(C)C)[N+](=O)[O-]
(2)InChI: InChI=1S/C12H18N2O2/c1-7(2)10-5-9(14(15)16)6-11(8(3)4)12(10)13/h5-8H,13H2,1-4H3
(3)InChIKey: VQMXCKREXFUBLS-UHFFFAOYSA-N