-
Name
(3,4-DIHYDRO-2H-BENZO[1,4]OXAZIN-3-YL)-METHANOL
- EINECS
- CAS No. 36884-17-0
- Article Data6
- CAS DataBase
- Density 1.164 g/cm3
- Solubility
- Melting Point
- Formula C9H11NO2
- Boiling Point 329.808 °C at 760 mmHg
- Molecular Weight 165.192
- Flash Point 153.263 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,4-Benzoxazine-3-methanol,2,3-dihydro-;[3,4-Dihydro-2H-1,4-benzoxazin-3-yl]methanol;
- PSA 41.49000
- LogP 0.98980
2H-1,4-Benzoxazine-3-methanol,3,4-dihydro- Specification
The CAS register number of 2H-1,4-Benzoxazine-3-methanol,3,4-dihydro- is 36884-17-0. It also can be called as 1,4-Benzoxazine-3-methanol,2,3-dihydro- and the systematic name about this chemical is 3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanol. The molecular formula about this chemical is C9H11NO2 and the molecular weight is 165.19.
Physical properties about 2H-1,4-Benzoxazine-3-methanol,3,4-dihydro- are: (1)ACD/LogP: 1.59; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 51; (7)ACD/KOC (pH 7.4): 52; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 41.49 Å2; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 44.997 cm3; (14)Molar Volume: 141.91 cm3; (15)Polarizability: 17.838x10-24cm3; (16)Surface Tension: 47.189 dyne/cm; (17)Density: 1.164 g/cm3; (18)Flash Point: 153.263 °C; (19)Enthalpy of Vaporization: 60.413 kJ/mol; (20)Boiling Point: 329.808 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC1Nc2ccccc2OC1
(2)InChI: InChI=1/C9H11NO2/c11-5-7-6-12-9-4-2-1-3-8(9)10-7/h1-4,7,10-11H,5-6H2
(3)InChIKey: HGLQOUQCZZTDIV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C9H11NO2/c11-5-7-6-12-9-4-2-1-3-8(9)10-7/h1-4,7,10-11H,5-6H2
(5)Std. InChIKey: HGLQOUQCZZTDIV-UHFFFAOYSA-N
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