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| CAS No.: | 60979-25-1 |
|---|---|
| Name: | 3-Amino-4-methoxybenzonitrile |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C8H8N2O |
| Molecular Weight: | 148.164 |
| Synonyms: | Benzonitrile, 3-amino-4-methoxy-; |
| Density: | 1.17 g/cm3 |
| Melting Point: | 84 °C |
| Boiling Point: | 332.8 °C at 760 mmHg |
| Flash Point: | 155.1 °C |
| PSA: | 59.04000 |
| LogP: | 1.73028 |
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- Total:37 Page 1 of 1 1
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Specification
The 3-Amino-4-methoxybenzonitrile, with the CAS registry number of 60979-25-1, is also known as Benzonitrile, 3-amino-4-methoxy-. This chemical's molecular formula is C8H8N2O and molecular weight is 148.16192. What's more, its systematic name is called 3-Amino-4-methoxybenzonitrile.
Physical properties about 3-Amino-4-methoxybenzonitrile are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.49; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 160.87; (8)ACD/KOC (pH 7.4): 161.14; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 59.04 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 41.3 cm3; (15)Molar Volume: 125.9 cm3; (16)Surface Tension: 52.8 dyne/cm; (17)Density: 1.17 g/cm3; (18)Flash Point: 155.1 °C; (19)Enthalpy of Vaporization: 57.56 kJ/mol; (20)Boiling Point: 332.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000142 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cc(ccc1OC)C#N
(2) InChI: InChI=1/C8H8N2O/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3
(3) InChIKey: MAYBZGKWHOVSAQ-UHFFFAOYAL