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203521-95-3

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Basic Information
CAS No.: 203521-95-3
Name: N-Cbz-4-Methylisonipecotic acid ethyl ester
Article Data: 2
Molecular Structure:
Molecular Structure of 203521-95-3 (N-Cbz-4-Methylisonipecotic acid ethyl ester)
Formula: C17H23 N O4
Molecular Weight: 305.374
Synonyms: 4-Methyl-1,4-piperidinedicarboxylic acid 4-ethyl 1-(phenylmethyl) ester
Density: 1.137
PSA: 55.84000
LogP: 2.92630
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Chemistry

Molecular Structure of N-Cbz-4-Methylisonipecotic acid ethyl ester (CAS No.203521-95-3): |

Molecular Formula: C17H23NO4
Molecular Weight: 305.37
CAS No: 203521-95-3
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 55.84 Å2
Index of Refraction: 1.525
Molar Refractivity: 82.25 cm3
Molar Volume: 268.3 cm3
Surface Tension: 43.3 dyne/cm
Density: 1.137 g/cm3
Flash Point: 199.3 °C
Enthalpy of Vaporization: 65.77 kJ/mol
Boiling Point: 406 °C at 760 mmHg
Vapour Pressure: 8.4E-07 mmHg at 25°C
Systematic Name: O1-benzyl O4-ethyl 4-methylpiperidine-1,4-dicarboxylate
InChI: InChI=1/C17H23NO4/c1-3-21-15(19)17(2)9-11-18(12-10-17)16(20)22-13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKey: SYAKUJRVWRTGOB-UHFFFAOYAB
Std. InChI: InChI=1S/C17H23NO4/c1-3-21-15(19)17(2)9-11-18(12-10-17)16(20)22-13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
Std. InChIKey: SYAKUJRVWRTGOB-UHFFFAOYSA-N

Specification

   N-Cbz-4-Methylisonipecotic acid ethyl ester (CAS No.203521-95-3), its synonym is 4-Methyl-1,4-piperidinedicarboxylic acid 4-ethyl 1-(phenylmethyl) ester .