Benzoxazole,2-(4-piperidinyl)- supplier

Name
2-PIPERIDIN-4-YL-BENZOOXAZOLE
EINECS
CAS No. 51784-03-3
Article Data12
CAS DataBase
Density 1.143 g/cm³
Solubility
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
Appearance
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;
PSA 38.06000
LogP 2.62360

Benzoxazole,2-(4-piperidinyl)- Specification

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

Product Name

2-PIPERIDIN-4-YL-BENZOOXAZOLE

Benzoxazole,2-(4-piperidinyl)- Specification

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