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CAS No.: | 23808-42-6 |
---|---|
Name: | 4-(aminomethyl)-1-phenethylpiperidin-4-ol |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C14H22N2O |
Molecular Weight: | 234.341 |
Synonyms: | 4-Piperidinol,4-(aminomethyl)-1-phenethyl- (8CI); |
EINECS: | 245-896-6 |
Density: | 1.085 g/cm3 |
Boiling Point: | 387.6 °C at 760 mmHg |
Flash Point: | 188.2 °C |
PSA: | 49.49000 |
LogP: | 1.65290 |
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The 4-Piperidinol,4-(aminomethyl)-1-(2-phenylethyl)-, with the CAS registry number 23808-42-6, has the IUPAC name 4-(aminomethyl)-1-(2-phenylethyl)piperidin-4-ol. Its molecular formula is C14H22N2O and its molecular weight is 234.33728. Additionally, its EINECS is 245-896-6.
Other characteristics of the 4-Piperidinol,4-(aminomethyl)-1-(2-phenylethyl)- can be summarised as followings: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.26; (4)ACD/LogD (pH 7.4): -2.64; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 15.71 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 70.16 cm3; (15)Molar Volume: 215.9 cm3; (16)Polarizability: 27.81×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.085 g/cm3; (19)Flash Point: 188.2 °C; (20)Enthalpy of Vaporization: 67.16 kJ/mol; (21)Boiling Point: 387.6 °C at 760 mmHg; (22)Vapour Pressure: 1.06E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC2(CCN(CCc1ccccc1)CC2)CN
2.InChI: InChI=1/C14H22N2O/c15-12-14(17)7-10-16(11-8-14)9-6-13-4-2-1-3-5-13/h1-5,17H,6-12,15H2
3.InChIKey: OZWUDZJANOCZLG-UHFFFAOYAE