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