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CAS No.: | 38487-85-3 |
---|---|
Name: | 2-Amino-4-methoxybenzonitrile |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H8N2O |
Molecular Weight: | 148.164 |
Synonyms: | 2-Amino-4-methoxybenzonitrile |
Density: | 1.17 g/cm3 |
Melting Point: | 96 °C |
Boiling Point: | 341.5 °C at 760 mmHg |
Flash Point: | 160.4 °C |
PSA: | 59.04000 |
LogP: | 1.73028 |
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The 2-Amino-4-methoxybenzonitrile is an organic compound with the formula C8H8N2O. The systematic name of this chemical is 2-amino-4-methoxybenzonitrile. With the CAS registry number 38487-85-3, it is also named as benzonitrile, 2-amino-4-methoxy-.
Physical properties about 2-Amino-4-methoxybenzonitrile are: (1)ACD/LogP: 1.60; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 36.26 Å2; (6)Index of Refraction: 1.569; (7)Molar Refractivity: 41.3 cm3; (8)Molar Volume: 125.9 cm3; (9)Polarizability: 16.37×10-24cm3; (10)Surface Tension: 52.8 dyne/cm; (11)Density: 1.17 g/cm3; (12)Flash Point: 160.4 °C; (13)Enthalpy of Vaporization: 58.52 kJ/mol; (14)Boiling Point: 341.5 °C at 760 mmHg; (15)Vapour Pressure: 8E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(OC)cc1N
(2)InChI: InChI=1/C8H8N2O/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,10H2,1H3
(3)InChIKey: AUCDLHDDGNGDHD-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H8N2O/c1-11-7-3-2-6(5-9)8(10)4-7/h2-4H,10H2,1H3
(5)Std. InChIKey: AUCDLHDDGNGDHD-UHFFFAOYSA-N