Product Name

  • Name

    1-N-Boc-3-Cyanopyrrolidine

  • EINECS
  • CAS No. 476493-40-0
  • Article Data9
  • CAS DataBase
  • Density 1.08 g/cm3
  • Solubility
  • Melting Point -108 °C
  • Formula C10H16N2O2
  • Boiling Point 307.9 °C at 760 mmHg
  • Molecular Weight 196.249
  • Flash Point 140 °C
  • Transport Information UN 3439
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 476493-40-0 (1-N-Boc-3-Cyanopyrrolidine)
  • Hazard Symbols
  • Synonyms 1,1-Dimethylethyl3-cyano-1-pyrrolidinecarboxylate;
  • PSA 53.33000
  • LogP 1.70488

1-N-Boc-3-Cyanopyrrolidine Chemical Properties

Molecular Formula: C10H16N2O2
Molecular Weight: 196.25 g/mol
Canonical SMILES: O=C(OC(C)(C)C)N1CCC(C#N)C1
InChI: InChI=1/C10H16N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-5,7H2,1-3H3
Mol File: 476493-40-0.mol
Product Categories: Pyrrole & Pyrrolidine & Pyrroline; Organic acids
H bond acceptors: 4
Freely Rotating Bonds: 2
Polar Surface Area: 53.33
Index of Refraction: 1.488
Molar Refractivity: 51.96 cm3
Molar Volume: 180 cm3
Polarizability: 20.6×10-24 cm3
Surface Tension: 41.2 dyne/cm
Density: 1.08 g/cm3
Flash Point: 140 °C
Enthalpy of Vaporization: 54.86 kJ/mol
Boiling Point: 307.9 °C at 760 mmHg
Vapour Pressure of 1-N-Boc-3-Cyanopyrrolidine (CAS NO.476493-40-0): 0.000703 mmHg at 25 °C

1-N-Boc-3-Cyanopyrrolidine Safety Profile

Risk Statements: 20/21/22-36/37/38 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
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.
HazardClass: 6.1
PackingGroup of 1-N-Boc-3-Cyanopyrrolidine (CAS NO.476493-40-0): III

1-N-Boc-3-Cyanopyrrolidine Specification

  1-N-Boc-3-Cyanopyrrolidine (CAS NO.476493-40-0), its Synonyms are Tert-Butyl 3-cyanopyrrolidine-1-carboxylate ; 3-Cyano-pyrrolidine-1-carboxylic acid tert-butyl ester ; 1-N-Boc-3-Cyano-pyrrolidine ; 1-Boc-3-Cyanopyrrolidine ; N-1-Boc-3-Cyanopyrrolidine ; N-Boc-3-cyanopyrrolidine .

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