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CAS No.: | 4101-30-8 |
---|---|
Name: | 2'-AMINO-4',5'-DIMETHOXYACETOPHENONE |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H13NO3 |
Molecular Weight: | 195.218 |
Synonyms: | Acetophenone,2'-amino-4',5'-dimethoxy- (7CI,8CI);1-(2-Amino-4,5-dimethoxyphenyl)ethanone;2-Acetyl-4,5-dimethoxyaniline;4',5'-Dimethoxy-2'-aminoacetophenone; |
Density: | 1.14 g/cm3 |
Melting Point: | 106-108 °C |
Boiling Point: | 343.5 °C at 760 mmHg |
Flash Point: | 172.2 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 61.55000 |
LogP: | 2.06980 |
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The CAS register number of Ethanone,1-(2-amino-4,5-dimethoxyphenyl)- is 4101-30-8. It also can be called as 2-Amino-4,5-dimethoxyacetophenone and the IUPAC name about this chemical is 1-(2-amino-4,5-dimethoxyphenyl)ethanone. The molecular formula about this chemical is C10H13NO3 and the molecular weight is 195.22. It belongs to the Aromatic Acetophenones & Derivatives (substituted).
Physical properties about Ethanone,1-(2-amino-4,5-dimethoxyphenyl)- are: (1)ACD/LogP: 1.65; (2)ACD/LogD (pH 5.5): 1.65; (3)ACD/LogD (pH 7.4): 1.65; (4)ACD/BCF (pH 5.5): 10.6; (5)ACD/BCF (pH 7.4): 10.61; (6)ACD/KOC (pH 5.5): 188.57; (7)ACD/KOC (pH 7.4): 188.75; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 38.77Å2; (12)Index of Refraction: 1.541; (13)Molar Refractivity: 53.87 cm3; (14)Molar Volume: 171.2 cm3; (15)Polarizability: 21.35x10-24cm3; (16)Surface Tension: 40.3 dyne/cm; (17)Enthalpy of Vaporization: 58.74 kJ/mol; (18)Boiling Point: 343.5 °C at 760 mmHg; (19)Vapour Pressure: 7E-05 mmHg at 25°C.
Uses of Ethanone,1-(2-amino-4,5-dimethoxyphenyl)-: it can be used to produce 7,8-dimethoxy-10-methyl-11H-indeno[1,2-b]quinoline with indan-1-one at heating. This reaction is a kind of Friedlaender reaction. It will need reagent AcOH with reaction time of 2 hours. The yield is about 37%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of 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(c1c(cc(OC)c(OC)c1)N)C
(2)InChI: InChI=1/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3
(3)InChIKey: KGKWXEGYKGTMAK-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3
(5)Std. InChIKey: KGKWXEGYKGTMAK-UHFFFAOYSA-N