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40113-03-9

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Basic Information
CAS No.: 40113-03-9
Name: 1-Cbz-Piperidin-4-ylidene-acetic acid
Molecular Structure:
Molecular Structure of 40113-03-9 (1-Cbz-Piperidin-4-ylidene-acetic acid)
Formula: C15H17 N O4
Molecular Weight: 275.30
Synonyms: 1-Piperidinecarboxylicacid, 4-(carboxymethylene)-, 1-(phenylmethyl ester) (9CI)
Density: 1.325g/cm3
Boiling Point: 476.2°C at 760 mmHg
Flash Point: 241.8°C
PSA: 66.84000
LogP: 2.36790
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Chemistry

Following is the structure of 1-Cbz-Piperidin-4-ylidene-acetic acid (CAS NO.40113-03-9):
                         
Empirical Formula: C15H17NO4
Molecular Weight: 275.2998 g/mol
Molar Refractivity: 74.5 cm3
Molar Volume: 207.6 cm3
Density: 1.325 g/cm3
Flash Point: 241.8 °C
Index of Refraction: 1.636
Surface Tension: 66.3 dyne/cm
Enthalpy of Vaporization: 77.94 kJ/mol
Boiling Point of 1-Cbz-Piperidin-4-ylidene-acetic acid (CAS NO.40113-03-9): 476.2 °C at 760 mmHg
Vapour Pressure of 1-Cbz-Piperidin-4-ylidene-acetic acid (CAS NO.40113-03-9): 7.07E-10 mmHg at 25 °C
SMILES: O=C(OCc1ccccc1)N2CC/C(=C/C(O)=O)CC2
InChI: InChI=1/C15H17NO4/c17-14(18)10-12-6-8-16(9-7-12)15(19)20-11-13-4-2-1-3-5-13/h1-5,10H,6-9,11H2,(H,17,18)
InChIKey: NGSLTFIGWWOKHK-UHFFFAOYAS

Specification

 1-Cbz-Piperidin-4-ylidene-acetic acid , its cas register number is 40113-03-9. It also can be called 4-Carboxymethylene-piperidine-1-carboxylic acid benzyl ester ; and 1-Piperidinecarboxylic acid, 4-(carboxymethylene)-, 1-(phenylmethyl) ester .