Product Name

  • Name

    N-BOC-1,2,3,6-TETRAHYDROPYRIDINE

  • EINECS
  • CAS No. 85838-94-4
  • Article Data54
  • CAS DataBase
  • Density 1.03 g/cm3
  • Solubility Insoluble in water. Soluble in organic solvents.
  • Melting Point
  • Formula C10H17NO2
  • Boiling Point 241.523 °C at 760 mmHg
  • Molecular Weight 183.25
  • Flash Point 99.87 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 85838-94-4 (N-BOC-1,2,3,6-TETRAHYDROPYRIDINE)
  • Hazard Symbols IrritantXi
  • Synonyms 1,1-Dimethylethyl3,6-dihydro-1(2H)-pyridinecarboxylate;3,6-Dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester;N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine;tert-Butyl 1,2,3,6-tetrahydro-1-pyridinecarboxylate;tert-Butyl3,6-dihydro-2H-pyridine-1-carboxylate;tert-Butyl3,6-dihydropyridine-1(2H)-carboxylate;
  • PSA 29.54000
  • LogP 2.12130

N-Boc-1,2,3,6-tetrahydropyridine Chemical Properties

Empirical Formula of N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine (CAS NO.85838-94-4): C10H17NO2
Molecular Weight: 183.2475
Nominal Mass: 183 Da
Average Mass: 183.2475 Da
Monoisotopic Mass: 183.125929 Da 
Index of Refraction: 1.485
Molar Refractivity: 51.044 cm3
Molar Volume: 177.991 cm3
Surface Tension: 36.232 dyne/cm
Density: 1.03 g/cm3
Flash Point: 99.87 °C
Enthalpy of Vaporization: 47.848 kJ/mol
Boiling Point: 241.523 °C at 760 mmHg
Vapour Pressure: 0.036 mmHg at 25 °C
Structure of N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine (CAS NO.85838-94-4):
                       
IUPAC Name: tert-Butyl 3,6-dihydro-2H-pyridine-1-carboxylate
Canonical SMILES: CC(C)(C)OC(=O)N1CCC=CC1
InChI: InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h4-5H,6-8H2,1-3H3
InChIKey: SHHHRQFHCPINIB-UHFFFAOYSA-N

N-Boc-1,2,3,6-tetrahydropyridine Safety Profile

Hazard Codes of N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine (CAS NO.85838-94-4): IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

N-Boc-1,2,3,6-tetrahydropyridine Specification

 N-(tert-Butoxycarbonyl)-1,2,3,6-tetrahydropyridine , its cas register number is 85838-94-4. It also can be called 3,6-Dihydro-2H-pyridine-1-carboxylicacid tert-butyl ester ; and N-BOC-1,2,3,6-Tetrahydropyridine .

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