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1048917-20-9

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Basic Information
CAS No.: 1048917-20-9
Name: 1-(5-methylbenzo[d]oxazol-2-yl)piperidine-4-carboxylic acid
Molecular Structure:
Molecular Structure of 1048917-20-9 (1-(5-methylbenzo[d]oxazol-2-yl)piperidine-4-carboxylic acid)
Formula: C14H16N2O3
Molecular Weight: 260.29
Synonyms: 1-(5-Methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid;
Density: 1.299 g/cm3
Boiling Point: 455.5 °C at 760 mmHg
Flash Point: 229.3 °C
PSA: 66.57000
LogP: 2.50220
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Specification

The CAS registry number of 4-Piperidinecarboxylicacid, 1-(5-methyl-2-benzoxazolyl)- is 1048917-20-9. The systematic name is 1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid. In addition, the molecular formula is C14H16N2O3 and the molecular weight is 260.29. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 4-Piperidinecarboxylicacid, 1-(5-methyl-2-benzoxazolyl)- are: (1)ACD/LogP: 2.55; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 66.57 Å2; (6)Index of Refraction: 1.618; (7)Molar Refractivity: 70.23 cm3; (8)Molar Volume: 200.3 cm3; (9)Polarizability: 27.84 ×10-24cm3; (10)Surface Tension: 58.8 dyne/cm; (11)Density: 1.299 g/cm3; (12)Flash Point: 229.3 °C; (13)Enthalpy of Vaporization: 75.37 kJ/mol; (14)Boiling Point: 455.5 °C at 760 mmHg; (15)Vapour Pressure: 4.33E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1)nc(o2)N3CCC(CC3)C(=O)O
(2)InChI: InChI=1/C14H16N2O3/c1-9-2-3-12-11(8-9)15-14(19-12)16-6-4-10(5-7-16)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
(3)InChIKey: DOQBYCONUAYJOK-UHFFFAOYAP