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Name |
3,4-Dihydro-2H-1,4-benzoxazine-2-methanamine |
EINECS | N/A |
CAS No. | 102908-68-9 | Density | 1.109 g/cm3 |
PSA | 47.28000 | LogP | 1.65650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H12N2O | Boiling Point | 312.178 °C at 760 mmHg |
Molecular Weight | 164.20708 | Flash Point | 142.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(3,4-dihydro-2h-1,4-benzoxazin-2-yl)methanamine;(3,4-dihydro-2H-benzo[b][1,4]oxazin-2-yl)methanamine;3,4-Dihydro-2H-1,4-benzoxazine-2-methanamine; |
Article Data | 3 |
The CAS register number of 2H-1,4-Benzoxazine-2-methanamine,3,4-dihydro- is 102908-68-9. It also can be called as 3,4-Dihydro-2H-1,4-benzoxazine-2-methanamine and the systematic name about this chemical is 1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanamine. The molecular formula about this chemical is C9H12N2O and the molecular weight is 164.20708. It belongs to the following product categories which include Aminomethyl's; Benzomorpholines & Benzothiomorpholines; Benzomorpholines & Benzothiomorpholines and so on.
Physical properties about 2H-1,4-Benzoxazine-2-methanamine,3,4-dihydro- are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 47.28 Å2; (12)Index of Refraction: 1.548; (13)Molar Refractivity: 46.998 cm3; (14)Molar Volume: 148.081 cm3; (15)Polarizability: 18.631x10-24cm3; (16)Surface Tension: 45.334 dyne/cm; (17)Density: 1.109 g/cm3; (18)Flash Point: 142.6 °C; (19)Enthalpy of Vaporization: 55.315 kJ/mol; (20)Boiling Point: 312.178 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
Preparation: this chemical can be prepared by 3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid amide. This reaction will need reagent of LiAlH4 and solvent of tetrahydrofuran. The reaction time is 36 hours with reaction temperature of 45 °C. The yield is about 68%.
Uses of 2H-1,4-Benzoxazine-2-methanamine,3,4-dihydro-: it can be used to produce [2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl]-(3,4-dihydro-2H-benzo[1,4]oxazin-2-ylmethyl)-amine with 4,4'-difluorobenzhydryl 2-bromoethyl ether. This reaction will need reagents of K2CO3, KI and solvent of dimethylformamide. The reaction time is 3 days with ambient temperature. The yield is about 50%.
You can still convert the following datas into molecular structure:
(1)SMILES: O2c1ccccc1NCC2CN
(2)InChI: InChI=1/C9H12N2O/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,11H,5-6,10H2
(3)InChIKey: IGINVTLDGILHIM-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C9H12N2O/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7,11H,5-6,10H2
(5)Std. InChIKey: IGINVTLDGILHIM-UHFFFAOYSA-N