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| CAS No.: | 165253-31-6 |
|---|---|
| Name: | (TETRAHYDROFURAN-3-YL)METHANAMINE |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C5H11NO |
| Molecular Weight: | 101.148 |
| Synonyms: | (Tetrahydrofuran-3-yl)methanamine;1-(Tetrahydrofuran-3-yl)methanamine;3-Aminomethyltetrahydrofuran;N-(3-Tetrahydrofurylmethyl)amine;Tetrahydro-3-furanmethanamine;Tetrahydro-3-furanylmethylamine; |
| EINECS: | 676-405-7 |
| Density: | 0.968 g/cm3 |
| Boiling Point: | 156.019 °C at 760 mmHg |
| Flash Point: | 53.06 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 10-37/38-41 |
| Safety: | 26-37/39 |
| PSA: | 35.25000 |
| LogP: | 0.68190 |
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- 14631-44-8
3-cyanotetrahydrofuran
- 165253-31-6
(tetrahydro-3-furanyl)methylamine
| Conditions | Yield |
|---|---|
| With hydrogen In tert-butyl alcohol at 50 - 55℃; under 1125.11 Torr; for 6h; Solvent; Temperature; Pressure; | 93% |
| With palladium on activated charcoal; hydrogen In isopropyl alcohol at 70℃; under 7500.75 - 30003 Torr; for 5h; Reagent/catalyst; Solvent; Temperature; Pressure; Autoclave; | 92% |
| With ammonium hydroxide; hydrogen at 100℃; under 7500.75 Torr; for 4h; Autoclave; | 85% |
| With ammonium hydroxide; hydrogen at 110℃; under 18751.9 Torr; for 5h; Autoclave; | 62% |
| With hydrogen; nickel In tert-butyl alcohol at 50℃; under 380.026 Torr; for 10h; Autoclave; | 95 g |
- 165253-31-6
(tetrahydro-3-furanyl)methylamine
| Conditions | Yield |
|---|---|
| With hydrogen In methanol at 20℃; under 15001.5 Torr; for 2h; Reagent/catalyst; Pressure; | 99.4% |
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 760.051 Torr; for 6h; | 99% |
| With palladium 10% on activated carbon; hydrogen In methanol at 20℃; under 750.075 Torr; for 2h; | 95% |
- 79710-86-4
tetrahydrofuran-3-carboxaldehyde
- 165253-31-6
(tetrahydro-3-furanyl)methylamine
| Conditions | Yield |
|---|---|
| With ammonia; hydrogen In methanol at 60℃; under 30003 Torr; for 12h; Pressure; Reagent/catalyst; Temperature; | 99.5% |
| With hydrogen In methanol at 60℃; under 26252.6 Torr; for 8.5h; Time; Autoclave; Inert atmosphere; Large scale; | 98.2% |
| With hydroxyapatite; ammonia; hydrogen In ethanol at 60℃; under 750.075 - 7500.75 Torr; for 3h; Autoclave; Large scale; | 95% |
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Specification
This chemical is called 3-Furanmethanamine, tetrahydro-, and its systematic name is 1-(tetrahydrofuran-3-yl)methanamine. With the molecular formula of C5H11NO, its molecular weight is 101.15. The CAS registry number of this chemical is 165253-31-6.
Other characteristics of the 3-Furanmethanamine, tetrahydro- can be summarised as followings: (1)ACD/LogP: -0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.75; (4)ACD/LogD (pH 7.4): -3.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.453; (14)Molar Refractivity: 28.28 cm3; (15)Molar Volume: 104.5 cm3; (16)Polarizability: 11.21×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 0.967 g/cm3; (19)Flash Point: 53.1 °C; (20)Enthalpy of Vaporization: 39.27 kJ/mol; (21)Boiling Point: 156 °C at 760 mmHg; (22)Vapour Pressure: 2.95 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O1CCC(CN)C1
2.InChI: InChI=1/C5H11NO/c6-3-5-1-2-7-4-5/h5H,1-4,6H2
3.InChIKey: CINJIXGRSTYIHP-UHFFFAOYAA