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CAS No.: | 23042-77-5 |
---|---|
Name: | 1-(2-Amino-5-methoxy-phenyl)-ethanone |
Article Data: | 26 |
Molecular Structure: | |
Formula: | C14H13NO2 |
Molecular Weight: | 165.192 |
Synonyms: | Acetophenone, 2'-amino-5'-methoxy- (8CI);2'-Amino-5'-methoxyacetophenone; |
Density: | 1.172 g/cm3 |
Boiling Point: | 428.326 °C at 760 mmHg |
Flash Point: | 219.55 °C |
PSA: | 52.32000 |
LogP: | 2.06120 |
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The CAS registry number of Ethanone, 1-(2-amino-5-methoxyphenyl)- is 23042-77-5. This chemical is also named as 2'-Amino-5'-methoxybenzophenone. In addition, its molecular formula is C14H13NO2 and molecular weight is 227.2585. Its systematic name and IUPAC name are the same which is called (2-amino-5-methoxyphenyl)(phenyl)methanone.
Physical properties about Ethanone, 1-(2-amino-5-methoxyphenyl)- are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.607; (7)Molar Refractivity: 66.961 cm3; (8)Molar Volume: 193.831 cm3; (9)Surface Tension: 47.708 dyne/cm; (10)Density: 1.172 g/cm3; (11)Flash Point: 219.55 °C; (12)Enthalpy of Vaporization: 68.344 kJ/mol; (13)Boiling Point: 428.326 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(OC)ccc1N)c2ccccc2
(2)InChI: InChI=1/C14H13NO2/c1-17-11-7-8-13(15)12(9-11)14(16)10-5-3-2-4-6-10/h2-9H,15H2,1H3
(3)InChIKey: UKDOBSYQTBSUQR-UHFFFAOYAO