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| CAS No.: | 62848-20-8 |
|---|---|
| Name: | 3-Methoxypyrrolidine |
| Article Data: | 4 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C5H11NO |
| Molecular Weight: | 101.148 |
| Synonyms: | 3-Methoxy-pyrrolidine;Pyrrolidine, 3-methoxy-; |
| Density: | 0.94 g/cm3 |
| Boiling Point: | 122.9 °C at 760 mmHg |
| Flash Point: | 35.2 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| PSA: | 21.26000 |
| LogP: | 0.32350 |
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- Total:34 Page 1 of 1 1
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Specification
The 3-Methoxypyrrolidine, with the CAS registry number 62848-20-8, is also known as 3-Methoxy-pyrrolidine. This chemical's molecular formula is C5H11NO and molecular weight is 101.15.
Physical properties of 3-Methoxypyrrolidine are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 12.47 Å2; (10)Index of Refraction: 1.445; (11)Molar Refractivity: 28.51 cm3; (12)Molar Volume: 107 cm3; (13)Polarizability: 11.3×10-24 cm3; (14)Surface Tension: 28.4 dyne/cm; (15)Density: 0.94 g/cm3; (16)Flash Point: 35.2 °C; (17)Enthalpy of Vaporization: 36.09 kJ/mol; (18)Boiling Point: 122.9 °C at 760 mmHg; (19)Vapour Pressure: 13.6 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C1CCNC1
(2)InChI: InChI=1/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3
(3)InChIKey: BWRWNUQAQPAYCK-UHFFFAOYAR