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Name |
3-Oxetanemethanamine, 3-phenyl- |
EINECS | N/A |
CAS No. | 497239-45-9 | Density | 1.093 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H13NO | Boiling Point | 272.567 °C at 760 mmHg |
Molecular Weight | 163.219 | Flash Point | 124.047 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Oxetanemethanamine, 3-phenyl-;(3-phenyloxetan-3-yl)methanamine;3-phenyl-3-aminomethyloxetane;(3-Phenyloxetan-3-yl)MethylaMine;3-Aminomethyl-3-phenyloxetane |
Article Data | 1 |
The CAS registry number of 3-Oxetanemethanamine, 3-phenyl- is 497239-45-9. This chemical's molecular formula is C10H13NO and molecular weight is 163.2163. What's more, its systematic name is called (3-Phenyloxetan-3-yl)methanamine.
Physical properties about 3-Oxetanemethanamine, 3-phenyl- are: (1)ACD/LogP: 0.70; (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: 3; (10)Polar Surface Area: 35.25 Å2; (11)Index of Refraction: 1.556; (12)Molar Refractivity: 48.019 cm3; (13)Molar Volume: 149.379 cm3; (14)Polarizability: 19.036×10-24 cm3; (15)Surface Tension: 49.328 dyne/cm; (16)Density: 1.093 g/cm3; (17)Flash Point: 124.047 °C; (18)Enthalpy of Vaporization: 51.086 kJ/mol; (19)Boiling Point: 272.567 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C2(COC2)CN
(2) InChI: InChI=1/C10H13NO/c11-6-10(7-12-8-10)9-4-2-1-3-5-9/h1-5H,6-8,11H2
(3) InChIKey: TVBXQZRCYHWTSD-UHFFFAOYAI