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| CAS No.: | 125735-40-2 |
|---|---|
| Name: | 1-Benzhydryl-3-iodoazetidine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C16H16IN |
| Molecular Weight: | 349.214 |
| Synonyms: | 3-Iodo-N-benzhydrylazetidine;1-Benzhydryl-3-iodoazetidine; |
| Density: | 1.55 g/cm3 |
| Melting Point: | 101～102℃ |
| Boiling Point: | 377.4 °C at 760 mmHg |
| Flash Point: | 182 °C |
| PSA: | 3.24000 |
| LogP: | 3.83310 |
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- Total:33 Page 1 of 1 1
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Specification
The Azetidine,1-(diphenylmethyl)-3-iodo-, with the CAS registry number 125735-40-2, is also known as 1-Benzhydryl-3-iodoazetidine and 3-Iodo-N-benzhydrylazetidine. This chemical's molecular formula is C16H16IN and molecular weight is 349.2094. What's more, its systematic name is 1-(Diphenylmethyl)-3-iodoazetidine.
Physical properties about the Azetidine,1-(diphenylmethyl)-3-iodo- are: (1) ACD/LogP: 3.99; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 3; (6) Polar Surface Area: 3.24 Å2; (7) Index of Refraction: 1.677; (8) Molar Refractivity: 84.7 cm3; (9) Molar Volume: 224.9 cm3; (10) Polarizability: 33.58×10-24 cm3; (11) Surface Tension: 52.7 dyne/cm; (12)Density: 1.55 g/cm3; (13) Flash Point: 182 °C; (14) Enthalpy of Vaporization: 62.51 kJ/mol; (15) Boiling Point: 377.4 °C at 760 mmHg; (16) Vapour Pressure: 6.77E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: IC3CN(C(c1ccccc1)c2ccccc2)C3
(2) InChI: InChI=1/C16H16IN/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
(3) InChIKey: IBCVAYQWXMWFLD-UHFFFAOYAJ