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CAS No.: | 70977-71-8 |
---|---|
Name: | 3-AMINO-2-HYDROXY-5-METHYL ACETOPHENONE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C9H11NO2 |
Molecular Weight: | 165.192 |
Synonyms: | Acetophenone,3'-amino-2'-hydroxy-5'-methyl- (6CI);1-(3-Amino-2-hydroxy-5-methylphenyl)ethanone; |
Density: | 1.197 g/cm3 |
Melting Point: | 71-72 °C |
Boiling Point: | 305.3 °C at 760 mmHg |
Flash Point: | 138.5 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 63.32000 |
LogP: | 2.06660 |
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The Ethanone,1-(3-amino-2-hydroxy-5-methylphenyl)-, with CAS registry number 70977-71-8, belongs to the following product category: Aromatic Acetophenones & Derivatives (substituted). It has the systematic name of 1-(3-amino-2-hydroxy-5-methylphenyl)ethanone. And the chemical formula of this chemical is C9H11NO2.
Physical properties of Ethanone,1-(3-amino-2-hydroxy-5-methylphenyl)-: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.18; (6)ACD/BCF (pH 7.4): 11.35; (7)ACD/KOC (pH 5.5): 194.94; (8)ACD/KOC (pH 7.4): 197.97; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 47.22 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 18.72×10-24cm3; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.197 g/cm3; (19)Flash Point: 138.5 °C; (20)Enthalpy of Vaporization: 56.76 kJ/mol; (21)Boiling Point: 305.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000458 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Ethanone,1-(3-amino-2-hydroxy-5-methylphenyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cc(cc(N)c1O)C)C
(2)InChI: InChI=1/C9H11NO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,10H2,1-2H3
(3)InChIKey: UFIFDZMJARCOCP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C9H11NO2/c1-5-3-7(6(2)11)9(12)8(10)4-5/h3-4,12H,10H2,1-2H3
(5)Std. InChIKey: UFIFDZMJARCOCP-UHFFFAOYSA-N