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| CAS No.: | 66584-31-4 |
|---|---|
| Name: | 3-Methoxy-5-methylphenylamine |
| Molecular Structure: | |
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| Formula: | C8H11NO |
| Molecular Weight: | 137.181 |
| Synonyms: | 3-Methoxy-5-methylaniline; |
| Density: | 1.039 g/cm3 |
| Melting Point: | 46-47 °C |
| Boiling Point: | 257.7 °C at 760 mmHg |
| Flash Point: | 120.2 °C |
| PSA: | 35.25000 |
| LogP: | 2.16700 |
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Specification
The 3-Methoxy-5-methyl-phenylamine has CAS registry number 66584-31-4. This chemical's molecular formula is C8H11NO and molecular weight is 137.18. What's more, its systematic name is 3-Methoxy-5-methylaniline.
Physical properties about 3-Methoxy-5-methyl-phenylamine are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): 1.29; (5)ACD/BCF (pH 5.5): 5.34; (6)ACD/BCF (pH 7.4): 5.67; (7)ACD/KOC (pH 5.5): 113.49; (8)ACD/KOC (pH 7.4): 120.48; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 41.99 cm3; (15)Molar Volume: 131.9 cm3; (16)Polarizability: 16.64×10-24 cm3; (17)Surface Tension: 37.8 dyne/cm; (18)Density: 1.039 g/cm3; (19)Flash Point: 120.2 °C; (20)Enthalpy of Vaporization: 49.52 kJ/mol; (21)Boiling Point: 257.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0143 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1cc(cc(N)c1)C)C
(2) InChI: InChI=1/C8H11NO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,9H2,1-2H3
(3) InChIKey: SIYIMMXOEYEZHK-UHFFFAOYAY