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| CAS No.: | 36476-82-1 |
|---|---|
| Name: | 1-(Diphenylmethyl)-3-methoxyazetidine |
| Molecular Structure: | |
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| Formula: | C17H19NO |
| Molecular Weight: | 253.344 |
| Synonyms: | Azetane, 1-benzhydryl-3-methoxy; |
| Density: | 1.11 g/cm3 |
| Boiling Point: | 335.1 °C at 760 mmHg |
| Flash Point: | 99 °C |
| PSA: | 12.47000 |
| LogP: | 3.04450 |
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Specification
The 1-(Diphenylmethyl)-3-methoxyazetidine, with the CAS registry number 36476-82-1, is also known as Azetane, 1-benzhydryl-3-methoxy. This chemical's molecular formula is C17H19NO and molecular weight is 253.34. What's more, its IUPAC name is 1-Benzhydryl-3-methoxyazetidine.
Physical properties about 1-(Diphenylmethyl)-3-methoxyazetidine are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 2.51; (5)ACD/BCF (pH 5.5): 1.22; (6)ACD/BCF (pH 7.4): 41.64; (7)ACD/KOC (pH 5.5): 12.51; (8)ACD/KOC (pH 7.4): 425.48; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 78.14 cm3; (15)Molar Volume: 227.4 cm3; (16)Polarizability: 30.98×10-24 cm3; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 99 °C; (20)Enthalpy of Vaporization: 57.81 kJ/mol; (21)Boiling Point: 335.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000122 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(C3CN(C(c1ccccc1)c2ccccc2)C3)C
(2) InChI: InChI=1S/C17H19NO/c1-19-16-12-18(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
(3) InChIKey: GBJQFXRPQYYFOX-UHFFFAOYSA-N