Proline (data page)

The complete data for Proline

General information

Chemical formula: C5H9NO2 
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/AMain hazards:
- N/A
NFPA 704
Flammability (red): no hazard codeHealth (blue): no hazard codeReactivity (yellow): no hazard codeSpecial hazards (white): no code
Flash point
- N/A
 R/S statement
R: N/A
S: N/A
RTECS number:
N/A
Chemical properties
XLogP: -0.04pI: 6.30pKa: 1.95, 10.47Tautomers: Hydrogen bond: donor - 2;  acceptor - 3
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

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