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| CAS No.: | 25850-22-0 |
|---|---|
| Name: | 4-AMINO-2,2-DIMETHYLTETRAHYDROPYRAN |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H15NO |
| Molecular Weight: | 129.202 |
| Synonyms: | 4-Amino-2,2-dimethyltetrahydropyran;2,2-Dimethyloxan-4-amine;2,2-Dimethyltetrahydro-2H-pyran-4-amine; |
| Density: | 0.9 g/cm3 |
| Boiling Point: | 170.3 °C at 760 mmHg |
| Flash Point: | 49.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 35.25000 |
| LogP: | 1.60300 |
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Specification
The (2,2-Dimethyltetrahydro-2H-pyran-4-yl)methanamine, with the CAS registry number of 25850-22-0, is also known as 4-Amino-2,2-dimethyltetrahydropyran. This chemical's molecular formula is C7H15NO and molecular weight is 129.2. What's more, its IUPAC name is 2,2-Dimethyloxan-4-amine.
Physical properties about (2,2-Dimethyltetrahydro-2H-pyran-4-yl)methanamine are: (1)ACD/LogP: 0.53; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 12.47 Å2; (7)Index of Refraction: 1.436; (8)Molar Refractivity: 37.53 cm3; (9)Molar Volume: 143.4 cm3; (10)Polarizability: 14.88×10-24 cm3; (11)Surface Tension: 30.6 dyne/cm; (12)Density: 0.9 g/cm3; (13)Flash Point: 49.7 °C; (14)Enthalpy of Vaporization: 40.67 kJ/mol; (15)Boiling Point: 170.3 °C at 760 mmHg; (16)Vapour Pressure: 1.48 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O1C(C)(C)CC(N)CC1
(2) InChI: InChI=1/C7H15NO/c1-7(2)5-6(8)3-4-9-7/h6H,3-5,8H2,1-2H3
(3) InChIKey: VXCNRARJXVLHLI-UHFFFAOYAC