Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- supplier

Name
1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone
EINECS
CAS No. 308851-67-4
Article Data2
CAS DataBase
Density 1.144 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁NO₂
Boiling Point 351.175 °C at 760 mmHg
Molecular Weight 177.203
Flash Point 166.185 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Acetyl-3,4-dihydro-2H-1,4-benzoxazine;
PSA 38.33000
LogP 1.83150

Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- Specification

The CAS registry number of Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- is 308851-67-4. Its molecular formula is C₁₀H₁₁NO₂ and molecular weight is 177.1998. Its systematic name is called 6-Acetyl-3,4-dihydro-2H-1,4-benzoxazine.

Physical properties about Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.144; (4)ACD/LogD (pH 7.4): 1.149; (5)ACD/BCF (pH 5.5): 4.345; (6)ACD/BCF (pH 7.4): 4.394; (7)ACD/KOC (pH 5.5): 99.289; (8)ACD/KOC (pH 7.4): 100.409; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 48.797 cm³; (14)Molar Volume: 154.87 cm³; (15)Surface Tension: 42.775 dyne/cm; (16)Density: 1.144 g/cm³; (17)Flash Point: 166.185 °C; (18)Enthalpy of Vaporization: 59.585 kJ/mol; (19)Boiling Point: 351.175 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)c1ccc2c(c1)NCCO2
(2)InChI: InChI=1/C10H11NO2/c1-7(12)8-2-3-10-9(6-8)11-4-5-13-10/h2-3,6,11H,4-5H2,1H3
(3)InChIKey: KJYZRXVGOQBIJW-UHFFFAOYAQ

Product Name

1-(3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)ethanone

Ethanone, 1-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)- Specification

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