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| CAS No.: | 92146-77-5 |
|---|---|
| Name: | 3-Benzyloxy-cyclobutylamine |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C11H15NO |
| Molecular Weight: | 177.246 |
| Synonyms: | 3-(Benzyloxy)cyclobutanamine; cyclobutanamine, 3-(phenylmethoxy)- |
| Density: | 1.075 g/cm3 |
| Boiling Point: | 268.468 °C at 760 mmHg |
| Flash Point: | 114.379 °C |
| PSA: | 35.25000 |
| LogP: | 2.39320 |
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Specification
The 3-Benzyloxy cyclobutanamine, with CAS registry number 92146-77-5, has the systematic name of 3-(benzyloxy)cyclobutanamine. Besides this, it is also called cyclobutanamine, 3-(phenylmethoxy)-. And the chemical formula of this chemical is C11H15NO.
Physical properties of 3-Benzyloxy cyclobutanamine: (1)ACD/LogP: 0.74; (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: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 53.181 cm3; (13)Molar Volume: 164.807 cm3; (14)Polarizability: 21.082×10-24cm3; (15)Surface Tension: 42.368 dyne/cm; (16)Density: 1.075 g/cm3; (17)Flash Point: 114.379 °C; (18)Enthalpy of Vaporization: 50.655 kJ/mol; (19)Boiling Point: 268.468 °C at 760 mmHg; (20)Vapour Pressure: 0.008 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NC2CC(OCc1ccccc1)C2
(2)InChI: InChI=1/C11H15NO/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2
(3)InChIKey: GYSQDBGCDZWPMQ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C11H15NO/c12-10-6-11(7-10)13-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2
(5)Std. InChIKey: GYSQDBGCDZWPMQ-UHFFFAOYSA-N