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Name |
Benzoxazole,2-(4-piperidinyl)- |
EINECS | N/A |
CAS No. | 51784-03-3 | Density | 1.143 g/cm3 |
PSA | 38.06000 | LogP | 2.62360 |
Solubility | N/A | Melting Point |
114-116 °C |
Formula | C12H14N2O | Boiling Point | 331.6 °C at 760 mmHg |
Molecular Weight | 202.256 | Flash Point | 154.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(4-Piperidinyl)-1,3-benzoxazole;2-(Piperidin-4-yl)benzoxazole;4-(2-Benzoxazolyl)piperidine; |
Article Data | 12 |
The Benzoxazole,2-(4-piperidinyl)-, with the CAS registry number 51784-03-3, is also known as 2-(Piperidin-4-yl)-1,3-benzoxazole. This chemical's molecular formula is C12H14N2O and molecular weight is 202.25. What's more, its IUPAC name is called 2-Piperidin-4-yl-1,3-benzoxazole. In addition ,this chemical is irritanting and may cause inflammation to the skin or other mucous membranes.
Physical properties about Benzoxazole,2-(4-piperidinyl)- are: (1)ACD/LogP: 2.03; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 29.27 Å2; (7)Index of Refraction: 1.582; (8)Molar Refractivity: 59.08 cm3; (9)Molar Volume: 176.8 cm3; (10)Polarizability: 23.42×10-24 cm3; (11)Surface Tension: 45.1 dyne/cm; (12)Density: 1.143 g/cm3; (13)Flash Point: 154.3 °C; (14)Enthalpy of Vaporization: 57.43 kJ/mol; (15)Boiling Point: 331.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000154 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c3ccccc3oc1C2CCNCC2
(2) InChI: InChI=1/C12H14N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
(3) InChIKey: YHVZEPIEDXIJJT-UHFFFAOYAC