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| CAS No.: | 87505-31-5 |
|---|---|
| Name: | N-phenethyl-1,5-oxazocan-5-amine |
| Molecular Structure: | |
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| Formula: | C14H22N2O |
| Molecular Weight: | 234.3373 |
| Synonyms: | 2H-1,5-Oxazocin-5(6H)-amine, tetrahydro-N-(2-phenylethyl)-;N-phenethyl-1,5-oxazocan-5-amine; |
| Density: | 1.05 g/cm3 |
| Boiling Point: | 367.9 °C at 760 mmHg |
| Flash Point: | 176.3 °C |
| PSA: | 24.50000 |
| LogP: | 2.17490 |
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- Total:3 Page 1 of 1 1
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Specification
The Tetrahydro-N-(2-phenylethyl)-2H-1,5-oxazocin-5(6H)-amine is an organic compound with the formula C14H22N2O. The IUPAC name of this chemical is N-(2-phenylethyl)-1,5-oxazocan-5-amine. With the CAS registry number 87505-31-5, it is also named as N-phenethyl-1,5-oxazocan-5-amine.
Physical properties about Tetrahydro-N-(2-phenylethyl)-2H-1,5-oxazocin-5(6H)-amine are: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): -0.44; (3)ACD/LogD (pH 7.4): 1.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.9; (6)ACD/KOC (pH 5.5): 1.56; (7)ACD/KOC (pH 7.4): 70.15; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 15.71 Å2; (12)Index of Refraction: 1.549; (13)Molar Refractivity: 71.02 cm3; (14)Molar Volume: 223.1 cm3; (15)Polarizability: 28.15×10-24cm3; (16)Surface Tension: 42.4 dyne/cm; (17)Density: 1.05 g/cm3; (18)Flash Point: 176.3 °C; (19)Enthalpy of Vaporization: 61.45 kJ/mol; (20)Boiling Point: 367.9 °C at 760 mmHg; (21)Vapour Pressure: 1.32E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O2CCCN(NCCc1ccccc1)CCC2
(2)InChI: InChI=1/C14H22N2O/c1-2-6-14(7-3-1)8-9-15-16-10-4-12-17-13-5-11-16/h1-3,6-7,15H,4-5,8-13H2
(3)InChIKey: KZDGERVBEDBZPW-UHFFFAOYAU