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Basic Information
CAS No.: 877399-73-0
Name: 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester
Article Data: 30
Molecular Structure:
Molecular Structure of 877399-73-0 (1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester)
Formula: C13H20IN3O2
Molecular Weight: 377.225
Synonyms: tert-butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate;
Density: 1.603g/cm3
Melting Point: 97 °C
Boiling Point: 430.596oC at 760 mmHg
Flash Point: 214.217oC
PSA: 47.36000
LogP: 2.99760
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Chemistry

Molecular Structure of tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate (CAS No.877399-73-0):
 
Molecular Formula: C13H20IN3O2
Molecular Weight: 377.2213
CAS No: 877399-73-0
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 3
Polar Surface Area: 47.36 Å2
Index of Refraction: 1.625
Molar Refractivity: 83.196 cm3
Molar Volume: 235.356 cm3
Surface Tension: 46.5 dyne/cm
Density: 1.603 g/cm3
Flash Point: 214.217 °C
Enthalpy of Vaporization: 68.608 kJ/mol
Boiling Point: 430.596 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Systematic Name: tert-Butyl 4-(4-iodopyrazol-1-yl)piperidine-1-carboxylate
InChI: InChI=1/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3
InChIKey: IONGFFYQZADMPH-UHFFFAOYAQ
Std. InChI: InChI=1S/C13H20IN3O2/c1-13(2,3)19-12(18)16-6-4-11(5-7-16)17-9-10(14)8-15-17/h8-9,11H,4-7H2,1-3H3
Std. InChIKey: IONGFFYQZADMPH-UHFFFAOYSA-N

Specification

  tert-Butyl 4-(4-iodo-1H-pyrazol-1-yl)piperidine-1-carboxylate (CAS No.877399-73-0), its synonyms are 1-Piperidinecarboxylic acid, 4-(4-iodo-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester ; 1-Boc-4-(4-iodo-1H-pyrazol-1-yl)piperidine ; 1-N-Boc-4-(4-iodopyrazol-1-yl)piperidine .