6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine supplier

Name
6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine
EINECS
CAS No. 58960-11-5
Article Data11
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point
Formula C₉H₁₁NO₂
Boiling Point 279.543 °C at 760 mmHg
Molecular Weight 165.192
Flash Point 106.01 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine;
PSA 30.49000
LogP 1.63750

6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine Specification

The 6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine has the CAS registry number 58960-11-5. Its systematic name is 6-Methoxy-3,4-dihydro-2H-1,4-benzoxazine. This chemical's molecular formula is C₉H₁₁NO₂ and molecular weight is 165.19. What's more, it belongs to the product category of Pharmacetical.

Physical properties of 6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 133; (8)ACD/KOC (pH 7.4): 138; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.49 Å²; (13)Index of Refraction: 1.529; (14)Molar Refractivity: 45.447 cm³; (15)Molar Volume: 147.342 cm³; (16)Polarizability: 18.017×10^-24cm³; (17)Surface Tension: 38.723 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 106.01 °C; (20)Enthalpy of Vaporization: 51.823 kJ/mol; (21)Boiling Point: 279.543 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC2=C(C=C1)OCCN2
(2)InChI: InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3
(3)InChIKey: XLJYIYIBJUWRLF-UHFFFAOYSA-N

Product Name

6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine

6-Methoxy-3,4-dihydro-2H-benzo[b][1,4]oxazine Specification

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