4-ISOPROPYLBENZYLAMINE

The CAS register number of Benzenemethanamine,4-(1-methylethyl)- is 4395-73-7. It also can be called as Cuminylamine and the IUPAC name about this chemical is (4-propan-2-ylphenyl)methanamine. The molecular formula about this chemical is C₁₀H₁₅N and the molecular weight is 149.23.

Physical properties about Benzenemethanamine,4-(1-methylethyl)- are: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): -0.62; (3)ACD/LogD (pH 7.4): 0.36; (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): 4.28; (8)#H bond acceptors: 1; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 3.24 Å²; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 48.88 cm³; (14)Molar Volume: 159.4 cm³; (15)Polarizability: 19.38x10^-24cm³; (16)Surface Tension: 35 dyne/cm; (17)Density: 0.935 g/cm³; (18)Flash Point: 97.5 °C; (19)Enthalpy of Vaporization: 46.63 kJ/mol; (20)Boiling Point: 229.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0687 mmHg at 25 °C.

Uses of Benzenemethanamine,4-(1-methylethyl)-: it can be used to produce 4-(6,7-dimethoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid 4-isopropyl-benzylamide with 4-(6,7-dimethoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid 4-nitro-phenyl ester. This reaction will need solvent of 1-methyl-pyrrolidin-2-one. The reaction time is 4.5 hours with reaction temperature of 60 °C. The yield is about 31%.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. It may cause inflammation to the skin or other mucous membranes and destroy living tissue on contact. If you want to use this chemical, wear suitable protective clothing, gloves and eye/face protection. 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: NCc1ccc(cc1)C(C)C
(2)InChI: InChI=1/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3
(3)InChIKey: YQSHYGCCYVPRDI-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C10H15N/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8H,7,11H2,1-2H3
(5)Std. InChIKey: YQSHYGCCYVPRDI-UHFFFAOYSA-N