Ethanone,1-(2-amino-3-methoxyphenyl)- supplier

Name
Ethanone,1-(2-amino-3-methoxyphenyl)-
EINECS
CAS No. 42465-54-3
Article Data12
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 277.2 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 130.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Acetophenone,2'-amino-3'-methoxy- (6CI);1-(2-Amino-3-methoxyphenyl)ethanone;2'-Amino-3'-methoxyacetophenone;
PSA 52.32000
LogP 2.06120

Ethanone,1-(2-amino-3-methoxyphenyl)- Specification

The Ethanone,1-(2-amino-3-methoxyphenyl)-, with the CAS registry number 42465-54-3, is also known as 2'-Amino-3'-methoxyacetophenone. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.18914. What's more, its IUPAC name and systematic name are the same which is called 1-(2-Amino-3-methoxyphenyl)ethanone.

Physical properties about Ethanone,1-(2-amino-3-methoxyphenyl)-: (1)ACD/LogP: 2.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.04; (4)ACD/LogD (pH 7.4): 2.04; (5)ACD/BCF (pH 5.5): 20.76; (6)ACD/BCF (pH 7.4): 20.77; (7)ACD/KOC (pH 5.5): 305.08; (8)ACD/KOC (pH 7.4): 305.25; (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: 130.6 °C; (19)Enthalpy of Vaporization: 51.57 kJ/mol; (20)Boiling Point: 277.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0046 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Nc1c(cccc1OC)C(C)=O
(2) InChI: InChI=1/C9H11NO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-5H,10H2,1-2H3
(3) InChIKey: RHVYWYRETWKHDC-UHFFFAOYAI

Product Name

Ethanone,1-(2-amino-3-methoxyphenyl)-

Ethanone,1-(2-amino-3-methoxyphenyl)- Specification

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