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Molecular Structure of Ethyl 1-Boc-3-piperidinecarboxylate (CAS NO.130250-54-3):
IUPAC Name: 1-O-tert-Butyl 3-O-ethyl piperidine-1,3-dicarboxylate
Canonical SMILES: CCOC(=O)C1CCCN(C1)C(=O)OC(C)(C)C
InChI: InChI=1S/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3
InChIKey: YCXCRFGBFZTUSU-UHFFFAOYSA-N
Molecular Weight: 257.32602 [g/mol]
Molecular Formula: C13H23NO4
XLogP3-AA: 1.8
H-Bond Donor: 0
H-Bond Acceptor: 4
Index of Refraction: 1.473
Molar Refractivity: 67.02 cm3
Molar Volume: 238.8 cm3
Surface Tension: 37.9 dyne/cm
Density: 1.077 g/cm3
Flash Point: 149.7 °C
Enthalpy of Vaporization: 56.59 kJ/mol
Boiling Point: 323.9 °C at 760 mmHg
Vapour Pressure: 0.000254 mmHg at 25 °C
Product Categories: pharmacetical
Safety Information of Ethyl 1-Boc-3-piperidinecarboxylate (CAS NO.130250-54-3):
HazardClass: IRRITANT
Ethyl 1-Boc-3-piperidinecarboxylate (CAS NO.130250-54-3), its Synonyms are 1-(tert-Butyl) 3-ethyl 1,3-piperidinedicarboxylate ; 1-(tert-Butoxycarbonyl)nipecotic acid ethyl ester ; 1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid ethyl ester ; Ethyl N-Boc-nipecotate ; N-Boc-piperidine-3-carboxylic acid ethyl ester ; Piperidine-1,3-dicarboxylicacid 1-tert-butyl 3-ethyl ester .