Acetamide,N-[(4-aminophenyl)methyl]- CAS NO.99362-10-4

The Acetamide,N-[(4-aminophenyl)methyl]- is an organic compound with the formula C₉H₁₂N₂O. The systematic name of this chemical is N-(4-aminobenzyl)acetamide. With the CAS registry number 99362-10-4, it is also named as N-2-(4-Aminophenyl)ethyl acetamide. The product's category is Miscellaneous.

Physical properties about Acetamide,N-[(4-aminophenyl)methyl]- are: (1)ACD/LogP: -0.54; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.94; (5)ACD/KOC (pH 7.4): 12.09; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 23.55 Å²; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 48.29 cm³; (12)Molar Volume: 146.9 cm³; (13)Polarizability: 19.14×10^-24cm³; (14)Surface Tension: 45.8 dyne/cm; (15)Density: 1.117 g/cm³; (16)Flash Point: 204.7 °C; (17)Enthalpy of Vaporization: 66.78 kJ/mol; (18)Boiling Point: 414.8 °C at 760 mmHg; (19)Vapour Pressure: 4.32E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(4-nitro-benzyl)-acetamide. This reaction will need reagent Sn, HCl. The reaction time is 20 min with reaction temperature of 90 °C. The yield is about 80%.

Uses of Acetamide,N-[(4-aminophenyl)methyl]-: it can be used to produce 4-amino-benzylamine by heating. It will need reagent 15 percent aq. NaOH with reaction time of 2.5 hours. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccc(N)cc1)C
(2)InChI: InChI=1/C9H12N2O/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6,10H2,1H3,(H,11,12) 
(3)InChIKey: QYQYMVAVTKTFEK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H12N2O/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6,10H2,1H3,(H,11,12) 
(5)Std. InChIKey: QYQYMVAVTKTFEK-UHFFFAOYSA-N

The Acetamide,N-[(4-aminophenyl)methyl]- is an organic compound with the formula C₉H₁₂N₂O. The systematic name of this chemical is N-(4-aminobenzyl)acetamide. With the CAS registry number 99362-10-4, it is also named as N-2-(4-Aminophenyl)ethyl acetamide. The product's category is Miscellaneous.

Physical properties about Acetamide,N-[(4-aminophenyl)methyl]- are: (1)ACD/LogP: -0.54; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 10.94; (5)ACD/KOC (pH 7.4): 12.09; (6)#H bond acceptors: 3; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 23.55 Å²; (10)Index of Refraction: 1.571; (11)Molar Refractivity: 48.29 cm³; (12)Molar Volume: 146.9 cm³; (13)Polarizability: 19.14×10^-24cm³; (14)Surface Tension: 45.8 dyne/cm; (15)Density: 1.117 g/cm³; (16)Flash Point: 204.7 °C; (17)Enthalpy of Vaporization: 66.78 kJ/mol; (18)Boiling Point: 414.8 °C at 760 mmHg; (19)Vapour Pressure: 4.32E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(4-nitro-benzyl)-acetamide. This reaction will need reagent Sn, HCl. The reaction time is 20 min with reaction temperature of 90 °C. The yield is about 80%.

Uses of Acetamide,N-[(4-aminophenyl)methyl]-: it can be used to produce 4-amino-benzylamine by heating. It will need reagent 15 percent aq. NaOH with reaction time of 2.5 hours. The yield is about 86%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccc(N)cc1)C
(2)InChI: InChI=1/C9H12N2O/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6,10H2,1H3,(H,11,12) 
(3)InChIKey: QYQYMVAVTKTFEK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H12N2O/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6,10H2,1H3,(H,11,12) 
(5)Std. InChIKey: QYQYMVAVTKTFEK-UHFFFAOYSA-N