Proline (data page)

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The complete data for Proline
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General information
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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/A Main hazards:
- N/A
NFPA 704
Flammability (red): no hazard code Health (blue): no hazard code Reactivity (yellow): no hazard code Special hazards (white): no codeNFPA 704 four-colored diamond
Flash point
- N/A
R/S statement
R: N/A
S: 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
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


References[edit]

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