Proline (data page)

Last updated
The complete data for Proline ()
L-proline-skeletal.png L-proline-3D-sticks.png General information
Chemical formula : C 5 H 9 N O 2 
Molar mass : 115.13 g·mol−1
Systematic name :
(S)-Pyrrolidine-2-carboxylic acid
Abbreviations : P, Pro
Synonyms :
?
Database data
SMILES : C1CCNC1C(=O)O
InChI =1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1/f/h7H
  ATC : N/A  CAS : 147-85-3  DrugBank : N/A  EINECS : 205-702-2 a   PubChem : 614 (L) a , 8988 (D) a
Physical properties
Structure
Crystal data
Spectral data
UV-Vis
IR
NMR
MS
- Masses of main fragments:
GMD MS Spectrum
Phase behavior
Solid properties
Tm : 221 °C
Liquid properties
Gas properties
Hazard properties
MSDS
N/A
Main hazards :
- N/A
NFPA 704 Flash point
- N/A
RTECS number:
N/A
Chemical properties
XLogP : -0.04 pI : 6.30 pKa : 1.95, 10.47 Tautomers : Hydrogen bond : donor - 2; acceptor - 3
Pharmacological properties
  This box:  

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References

  1. ^a 205-702-2 EINECS for Proline
  2. ^a CID 6148988 from PubChem
  3. ^a CID 6137 from PubChem