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| CAS No.: | 4363-13-7 |
|---|---|
| Name: | 3-phenylazetidine |
| Molecular Structure: | |
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| Formula: | C9H11N |
| Molecular Weight: | 133.193 |
| Synonyms: | 3-Phenylazetidine; |
| Density: | 1.015 g/cm3 |
| Boiling Point: | 226.8 °C at 760 mmHg |
| Flash Point: | 93.5 °C |
| PSA: | 12.03000 |
| LogP: | 1.70220 |
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- Total:38 Page 1 of 1 1
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Specification
The Azetidine, 3-phenyl-, with the CAS registry number of 4363-13-7, is also known as OTAVA-BB 1179725. This chemical's molecular formula is C9H11N and molecular weight is 133.193. What's more, its systematic name is called 3-Phenylazetidine.
Physical properties about Azetidine, 3-phenyl- are: (1)ACD/LogP: 0.95; (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: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 41.62 cm3; (13)Molar Volume: 131.1 cm3; (14)Surface Tension: 38.2 dyne/cm; (15)Density: 1.015 g/cm3; (16)Flash Point: 93.5 °C; (17)Enthalpy of Vaporization: 46.34 kJ/mol; (18)Boiling Point: 226.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0802 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C2CNC2
(2) InChI: InChI=1/C9H11N/c1-2-4-8(5-3-1)9-6-10-7-9/h1-5,9-10H,6-7H2
(3) InChIKey: XOZGEXKQMVAILQ-UHFFFAOYAO