1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid supplier

Name
1-(5-Chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylic acid
EINECS
CAS No. 936074-51-0
Article Data1
CAS DataBase
Density 1.431 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₃ClN₂O₃
Boiling Point 472.2 °C at 760 mmHg
Molecular Weight 280.711
Flash Point 239.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid;1-(5-Chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylic acid;
PSA 66.57000
LogP 2.84720

1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid Specification

The CAS register number of 1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid is 936074-51-0. It also can be called as 4-Piperidinecarboxylicacid, 1-(5-chloro-2-benzoxazolyl)- and the systematic name about this chemical is 1-(5-chloro-1,3-benzoxazol-2-yl)piperidine-4-carboxylic acid.

Physical properties about 1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 1.69; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 66.57Å²; (7)Index of Refraction: 1.636; (8)Molar Refractivity: 70.3 cm³; (9)Molar Volume: 196 cm³; (10) Polarizability: 27.87x10^-24cm³; (11)Surface Tension: 63.7 dyne/cm; (12)Enthalpy of Vaporization: 77.44 kJ/mol; (13)Boiling Point: 472.2 °C at 760 mmHg; (14)Vapour Pressure: 1.01E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1Cl)nc(o2)N3CCC(CC3)C(=O)O
(2)InChI: InChI=1/C13H13ClN2O3/c14-9-1-2-11-10(7-9)15-13(19-11)16-5-3-8(4-6-16)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
(3)InChIKey: ZWXCRCVLSBGYFC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H13ClN2O3/c14-9-1-2-11-10(7-9)15-13(19-11)16-5-3-8(4-6-16)12(17)18/h1-2,7-8H,3-6H2,(H,17,18)
(5)Std. InChIKey: ZWXCRCVLSBGYFC-UHFFFAOYSA-N

Product Name

1-(5-Chlorobenzo[d]oxazol-2-yl)piperidine-4-carboxylic acid

1-(5-Chloro-2-benzoxazolyl)-4-piperidinecarboxylic acid Specification

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