4-(N-Methylamino)benzonitrile

The 4-(N-Methylamino)benzonitrile, with the CAS registry number 4714-62-9, is also known as 4-Cyano-N-methylaniline. It belongs to the product categories of Aromatic Nitriles; Polyamines. This chemical's molecular formula is C₈H₈N₂ and formula weight is 132.16. What's more, its IUPAC name and systematic name are the same which is called 4-(methylamino)benzonitrile. This chemical is white to light yellow crystal powder.

Physical properties of 4-(N-Methylamino)benzonitrile: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 161; (8)ACD/KOC (pH 7.4): 161; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 39.595 cm³; (14)Molar Volume: 124.02 cm³; (15)Surface Tension: 44.078 dyne/cm; (16)Density: 1.066 g/cm³; (17)Melting Point: 87-91 °C; (18)Flash Point: 119.486 °C; (19)Enthalpy of Vaporization: 51.233 kJ/mol; (20)Boiling Point: 273.958 °C at 760 mmHg; (21)Vapour Pressure: 0.006 mmHg at 25°C.

Uses of 4-(N-Methylamino)benzonitrile: it can be used to produce 4-cyano-N-(4-cyano-phenyl)-N-methyl-benzamide at temperature of 10 °C. This reaction will need reagent triethylamine and solvent tetrahydrofuran with reaction time of 1 hours. The yield is about 94%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to eyes, respiratory system and skin. This chemical also may cause sensitisation by skin contact. 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 and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CNC1=CC=C(C=C1)C#N
(2)InChI: InChI=1S/C8H8N2/c1-10-8-4-2-7(6-9)3-5-8/h2-5,10H,1H3
(3)InChIKey: JEDXDYXIRZOEKG-UHFFFAOYSA-N