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CAS No.: | 128117-22-6 |
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Name: | Benzyl 3-hydroxyazetidine-1-carboxylate |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C11H13NO3 |
Molecular Weight: | 207.229 |
Synonyms: | 1-Cbz-3-hydroxyazetidine;N-Cbz-3-hydroxyazetidine; |
EINECS: | 828-243-5 |
Density: | 1.317 g/cm3 |
Boiling Point: | 356.687 °C at 760 mmHg |
Flash Point: | 169.518 °C |
PSA: | 49.77000 |
LogP: | 0.93760 |
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This chemical has the systematic name Benzyl 3-hydroxyazetidine-1-carboxylate. With the CAS registry number 128117-22-6, it is also known as 1-N-Cbz-3-Hydroxyazetidine. Its molecular formula is C11H13NO3 and its molecular weight is 207.22582.
Other characteristics of the Benzyl 3-hydroxyazetidine-1-carboxylate can be summarised as followings: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 42; (8)ACD/KOC (pH 7.4): 42; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49.77 Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 54.43 cm3; (15)Molar Volume: 157.342 cm3; (16)Polarizability: 21.578×10-24cm3; (17)Surface Tension: 61.869 dyne/cm; (18)Density: 1.317 g/cm3; (19)Flash Point: 169.518 °C; (20)Enthalpy of Vaporization: 63.52 kJ/mol; (21)Boiling Point: 356.687 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCc1ccccc1)N2CC(O)C2
2.InChI: InChI=1/C11H13NO3/c13-10-6-12(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2
3.InChIKey: XJWSNDGCJMGHSR-UHFFFAOYAC