Product Name

  • Name

    (S)-1-Boc-2-cyanopyrrolidine

  • EINECS
  • CAS No. 228244-04-0
  • Article Data2
  • CAS DataBase
  • Density 1.08 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point 33-36 °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 228244-04-0 ((S)-1-Boc-2-cyanopyrrolidine)
  • Hazard Symbols
  • Synonyms tert-Butyl(2S)-2-cyano-1-pyrrolidinecarboxylate;tert-Butyl (S)-2-cyanopyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylicacid, 2-cyano-, 1,1-dimethylethyl ester, (2S)-;
  • PSA 53.33000
  • LogP 1.84738

(S)-1-Boc-2-cyanopyrrolidine Chemical Properties

IUPAC Name: tert-Butyl (2S)-2-cyanopyrrolidine-1-carboxylate
Synonyms of (S)-1-Boc-2-cyanopyrrolidine (CAS NO.228244-04-0): tert-Butyl (2S)-2-cyanopyrrolidine-1-carboxylate ; (S)-1-Boc-2-Pyrrolidinecarbonitrile ; (S)-1-(tert-Butoxycarbonyl)-2-Pyrrolidinecarbonitrile
CAS NO: 228244-04-0
Molecular Formula: C10H16N2O2 
Molecular Weight: 196.25 
Molecular Structure:
H bond acceptors:  4 
H bond donors:  0 
Freely Rotating Bonds:  2 
Polar Surface Area:  53.33 Å2 
Index of Refraction:  1.488 
Molar Refractivity:  51.96 cm3 
Molar Volume:  180 cm3 
Surface Tension:  41.2 dyne/cm 
Density:  1.08 g/cm3 
Flash Point:  140 °C
Melting Point: 33-36°C
Alpha : -105.5 º (c=1, chloroform) 
Enthalpy of Vaporization:  54.86 kJ/mol 
Boiling Point:  307.9 °C at 760 mmHg 
Vapour Pressure:  0.000703 mmHg at 25°C 
SMILES: O=C(OC(C)(C)C)N1[C@H](C#N)CCC1
InChI: InChI=1/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m0/s1 
InChIKey: MDMSZBHMBCNYNO-QMMMGPOBBF 
Std. InChI: InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m0/s1
Std. InChIKey: MDMSZBHMBCNYNO-QMMMGPOBSA-N
Product Categories of (S)-1-Boc-2-cyanopyrrolidine (CAS NO.228244-04-0): Pyrrole & Pyrrolidine & Pyrroline; Chiral Building Blocks; Heterocyclic Building Blocks; Pyrrolidines

(S)-1-Boc-2-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.
RIDADR: 3439

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