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| CAS No.: | 22610-18-0 |
|---|---|
| Name: | 2-Phenylazetidine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H11N |
| Molecular Weight: | 133.193 |
| Synonyms: | 2-Phenylazetidine; |
| EINECS: | 200-589-5 |
| Density: | 1.015 g/cm3 |
| Boiling Point: | 216 °C at 760 mmHg |
| Flash Point: | 85.2 °C |
| PSA: | 12.03000 |
| LogP: | 2.04980 |
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- Total:24 Page 1 of 1 1
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Specification
The Azetidine, 2-phenyl-, with the CAS registry number 22610-18-0, is also known as 2-Phenylazetidine. This chemical's molecular formula is C9H11N and molecular weight is133.19034. What's more, its IUPAC name is 8-Ethyl-7-(2-hydroxyethoxy)-1,3-dimethylpurine-2,6-dione.
Physical properties about the Azetidine, 2-phenyl- are: (1) ACD/LogP: 1.27; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -1.83; (4) ACD/LogD (pH 7.4): -1.5; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 1; (8) ACD/KOC (pH 7.4): 1; (9) #H bond acceptors: 1; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 3.24Å2; (13) Index of Refraction: 1.547; (14) Molar Refractivity: 41.62 cm3; (15) Molar Volume: 131.1 cm3; (16) Polarizability: 16.5×10-24 cm3; (17) Surface Tension: 38.2 dyne/cm; (18) Density: 1.015 g/cm3; (19) Flash Point: 85.2 °C; (20) Enthalpy of Vaporization: 45.24 kJ/mol; (21) Boiling Point: 216 °C at 760 mmHg; (22) Vapour Pressure: 0.143 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cccc(c1)C2NCC2
(2) InChI: InChI=1/C9H11N/c1-2-4-8(5-3-1)9-6-7-10-9/h1-5,9-10H,6-7H2
(3) InChIKey: CLNGGMJEJSANIE-UHFFFAOYAK