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| CAS No.: | 62614-84-0 |
|---|---|
| Name: | 4-PIPERIDIN-4-YLPHENOL |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H15NO |
| Molecular Weight: | 177.246 |
| Synonyms: | 4-piperidin-4-ylphenol |
| Density: | 1.074 g/cm3 |
| Boiling Point: | 322.229 °C at 760 mmHg |
| Flash Point: | 140.834 °C |
| PSA: | 32.26000 |
| LogP: | 2.18800 |
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- Total:30 Page 1 of 1 1
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Specification
This chemical is called Phenol, 4-(4-piperidinyl)-, and its systematic name is 4-(piperidin-4-yl)phenol. With the molecular formula of C11H15NO. The CAS registry number of this chemical is 62614-84-0.
Other characteristics of the chemical can be summarised as followings:(1)LogP: 1.66; (2)# of Rule of 5 ; (3)Violations: 0; (4)ACD/LogD (pH 5.5): -1; (5)ACD/LogD (pH 7.4): -1; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 2; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 2; (13)Polar Surface Area: 32.26 Å2; (14)Index of Refraction: 1.552; (15)Molar Refractivity: 52.733 cm3; (16)Molar Volume: 165.101 cm3; (17)Polarizability: 20.905×10-24 cm3; (18)Surface Tension: 42.45 dyne/cm; (19)Density: 1.074 g/cm3; (20)Flash Point: 140.834 °C ; (21)Enthalpy of Vaporization: 58.649 kJ/mol; (22)Boiling Point: 322.229 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Oc1ccc(cc1)C2CCNCC2
2.InChI: InChI=1/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12-13H,5-8H2
3.InChIKey: ZDEWVCFSCQUKTE-UHFFFAOYAG
4.Std. InChI: InChI=1S/C11H15NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-4,10,12-13H,5-8H2
5.Std. InChIKey: ZDEWVCFSCQUKTE-UHFFFAOYSA-N