Ethanone,1-(4-amino-3-methoxyphenyl)- supplier

Name
1-(4-AMINO-3-METHOXYPHENYL)-1-ETHANONE
EINECS
CAS No. 22106-40-7
Article Data6
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point 90-92 °C
Formula C₉H₁₁NO₂
Boiling Point 314.8 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 165.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Amino-3-methoxyphenyl)ethan-1-one;
PSA 52.32000
LogP 2.06120

Ethanone,1-(4-amino-3-methoxyphenyl)- Specification

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

Product Name

1-(4-AMINO-3-METHOXYPHENYL)-1-ETHANONE

Ethanone,1-(4-amino-3-methoxyphenyl)- Specification

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