4-ISOPROPYL-2-NITROANILINE

The Benzenamine,4-(1-methylethyl)-2-nitro-, with the CAS registry number 63649-64-9, is also known as 4-Isopropyl-2-nitroaniline. This chemical's molecular formula is C₉H₁₂N₂O₂ and molecular weight is 180.2. Its IUPAC name is called 2-nitro-4-propan-2-ylaniline.

Physical properties of Benzenamine,4-(1-methylethyl)-2-nitro-: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 150.76; (6)ACD/BCF (pH 7.4): 150.77; (7)ACD/KOC (pH 5.5): 1261.35; (8)ACD/KOC (pH 7.4): 1261.36; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 51.21 cm³; (14)Molar Volume: 153.6 cm³; (15)Surface Tension: 47.6 dyne/cm; (16)Density: 1.172 g/cm³; (17)Flash Point: 133.5 °C; (18)Enthalpy of Vaporization: 53.7 kJ/mol; (19)Boiling Point: 297.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00137 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low levels may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)C1=CC(=C(C=C1)N)[N+](=O)[O-]
(2)InChI: InChI=1S/C9H12N2O2/c1-6(2)7-3-4-8(10)9(5-7)11(12)13/h3-6H,10H2,1-2H3
(3)InChIKey: SBXKBHDWJBOCIG-UHFFFAOYSA-N