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CAS No.: | 19490-60-9 |
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Name: | Propiophenone, 2-amino-3,4-dihydroxy-, ()- (8CI) |
Molecular Structure: | |
Formula: | C9H11NO3 |
Molecular Weight: | 181.191 |
Synonyms: | 2-Amino-1-(3,4-dihydroxyphenyl)propan-1-one;2-Amino-3',4'-dihydroxypropiophenone; |
Density: | 1.309 g/cm3 |
Melting Point: | 202-203 °C |
Boiling Point: | 423.5 °C at 760 mmHg |
Flash Point: | 209.9 °C |
Appearance: | Yellow powder |
PSA: | 83.55000 |
LogP: | 1.32800 |
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The 1-Propanone,2-amino-1-(3,4-dihydroxyphenyl)- with CAS registry number of 19490-60-9 is also known as 2-Amino-3',4'-dihydroxypropiophenone. The systematic name is 2-Amino-1-(3,4-dihydroxyphenyl)propan-1-one. In addition, the formula is C9H11NO3 and the molecular weight is 181.19. This chemical is a yellow powder.
Physical properties about 1-Propanone,2-amino-1-(3,4-dihydroxyphenyl)- are: (1)ACD/LogP: 0.78; (2)ACD/LogD (pH 5.5): -1.02; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.01; (7)ACD/KOC (pH 7.4): 22.3; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.613; (12)Molar Refractivity: 48.17 cm3; (13)Molar Volume: 138.3 cm3; (14)Surface Tension: 62.2 dyne/cm; (15)Density: 1.309 g/cm3; (16)Flash Point: 209.9 °C; (17)Enthalpy of Vaporization: 70.4 kJ/mol; (18)Boiling Point: 423.5 °C at 760 mmHg; (19)Vapour Pressure: 9.05E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=C(c1cc(O)c(O)cc1)C(N)C
2. InChI: InChI=1/C9H11NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,11-12H,10H2,1H3
3. InChIKey: VTUFBPJUFSJZCT-UHFFFAOYAF
4. Std. InChI: InChI=1S/C9H11NO3/c1-5(10)9(13)6-2-3-7(11)8(12)4-6/h2-5,11-12H,10H2,1H3
5. Std. InChIKey: VTUFBPJUFSJZCT-UHFFFAOYSA-N