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| CAS No.: | 53617-37-1 |
|---|---|
| Name: | 4-Pyrrolidin-3-ylmorpholine |
| Molecular Structure: | |
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| Formula: | C8H16N2O |
| Molecular Weight: | 156.2254 |
| Synonyms: | Morpholine, 4-(3-pyrrolidinyl)-;3-(4-Morpholino)pyrrolidine; |
| Density: | 1.063 g/cm3 |
| Boiling Point: | 241.615 °C at 760 mmHg |
| Flash Point: | 99.925 °C |
| Solubility: | Slightly soluble in water. |
| PSA: | 24.50000 |
| LogP: | -0.05280 |
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Specification
The 4-Pyrrolidin-3-ylmorpholine, with the CAS registry number 53617-37-1, is also known as Morpholine, 4-(3-pyrrolidinyl)- and 3-(4-Morpholino)pyrrolidine. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H16N2O and molecular weight is 156.2254.
Physical properties about 4-Pyrrolidin-3-ylmorpholine are: (1)ACD/LogP: -0.93; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 24.5 Å2; (11)Index of Refraction: 1.503; (12)Molar Refractivity: 43.457 cm3; (13)Molar Volume: 146.96 cm3; (14)Surface Tension: 37.738 dyne/cm; (15)Density: 1.063 g/cm3; (16)Flash Point: 99.925 °C; (17)Enthalpy of Vaporization: 47.857 kJ/mol; (18)Boiling Point: 241.615 °C at 760 mmHg; (19)Vapour Pressure: 0.036 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N1CC(CC1)N2CCOCC2
(2) InChI: InChI=1/C8H16N2O/c1-2-9-7-8(1)10-3-5-11-6-4-10/h8-9H,1-7H2
(3) InChIKey: OPJDRNMJJNFSNZ-UHFFFAOYAU