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CAS No.: | 22106-40-7 |
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Name: | 1-(4-AMINO-3-METHOXYPHENYL)-1-ETHANONE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | 1-(4-Amino-3-methoxyphenyl)ethan-1-one; |
Density: | 1.121 g/cm3 |
Melting Point: | 90-92 °C |
Boiling Point: | 314.8 °C at 760 mmHg |
Flash Point: | 165.5 °C |
Hazard Symbols: | Xi |
PSA: | 52.32000 |
LogP: | 2.06120 |
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The Ethanone,1-(4-amino-3-methoxyphenyl)-, with the CAS registry number of 22106-40-7, is also known as 1-(4-Amino-3-methoxyphenyl)ethan-1-one. Its EINECS registry number is 22106-40-7. This chemical's molecular formula is C9H11NO2 and molecular weight is 165.19. What's more, its systematic name is 1-(4-Amino-3-methoxyphenyl)ethanone.
Physical properties about the Ethanone,1-(4-amino-3-methoxyphenyl)- are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.5; (6)ACD/BCF (pH 7.4): 2.5; (7)ACD/KOC (pH 5.5): 67.03; (8)ACD/KOC (pH 7.4): 67.05; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 47.19 cm3; (15)Molar Volume: 147.2 cm3; (16)Surface Tension: 42 dyne/cm; (17)Density: 1.121 g/cm3; (18)Flash Point: 165.5 °C; (19)Enthalpy of Vaporization: 55.6 kJ/mol; (20)Boiling Point: 314.8 °C at 760 mmHg; (21)Vapour Pressure: 0.000454 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(cc1OC)C(C)=O
(2) InChI: InChI=1/C9H11NO2/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-5H,10H2,1-2H3
(3) InChIKey: LNRPHCWGORQWPI-UHFFFAOYAM