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| CAS No.: | 2525-16-8 |
|---|---|
| Name: | 7-METHOXY-3,4,5,6-TETRAHYDRO-2H-AZEPINE |
| Molecular Structure: | |
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| Formula: | C7H13NO |
| Molecular Weight: | 127.186 |
| Synonyms: | 1-Aza-2-methoxy-1-cycloheptene;2-Methoxy-1-azacycloheptene;2-Methoxy-4,5,6,7-tetrahydro-3H-azepine;3,4,5,6-Tetrahydro-7-methoxy-2H-azepine;4,5,6,7-Tetrahydro-2-methoxy-3H-azepine;7-Methoxy-3,4,5,6-tetrahydro-2H-azepine;Caprolactim O-methyl ether;Caprolactim methyl ether;NSC 31263;NSC 523095;O-Methyl-e-caprolactim;O-Methylcaprolactim;e-Caprolactim methyl ether; |
| EINECS: | 219-762-2 |
| Density: | 1 g/cm3 |
| Boiling Point: | 155.2 °C at 760 mmHg |
| Flash Point: | 51.1 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 21.59000 |
| LogP: | 1.04090 |
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Specification
The 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy-, with the CAS registry number 2525-16-8, is also known as 1-Aza-2-methoxy-1-cycloheptane. This chemical's molecular formula is C7H13NO and molecular weight is 127.18. What's more, both its IUPAC name and systematic name are the same which is called 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine.
Physical properties about this chemical are: (1)ACD/LogP: 0.69; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.13; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.92; (7)ACD/KOC (pH 5.5): 15.57; (8)ACD/KOC (pH 7.4): 54.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 21.59 Å2; (13)Index of Refraction: 1.487; (14)Molar Refractivity: 36.51 cm3; (15)Molar Volume: 126.7 cm3; (16)Polarizability: 14.47×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 1 g/cm3; (19)Flash Point: 51.1 °C; (20)Enthalpy of Vaporization: 37.58 kJ/mol; (21)Boiling Point: 155.2 °C at 760 mmHg; (22)Vapour Pressure: 3.95 mmHg at 25 °C.
Preparation of 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy: this chemical can be prepared by Azepan-2-one and Sulfuric acid dimethyl ester. This reaction occurs at temperature of 80 ~ 90 °C. The reaction time is 3 hours.
Uses of 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy: it is used to produce other chemicals. For example, it is used to produce 7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-one. The reaction occurs with reagent 2-Amino-benzoic acid and solvent Toluene on condition of heating for 2 hours. The yield is 70 %.
![2H-Azepine,3,4,5,6-tetrahydro-7-methoxy is used to produce 7,8,9,10-Tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.](/UserFilesUpload/Uses of 2H-Azepine,3,4,5,6-tetrahydro-7-methoxy.png)
When you are dealing with this chemical, you should be very careful. This chemical is Flammable. Therefore, you should keep away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1) SMILES: O(/C1=N/CCCCC1)C
(2) InChI: InChI=1/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3
(3) InChIKey: DNXIQMQGKSQHPC-UHFFFAOYAC