Proline (data page)

The complete data for Proline ()

General information

Chemical formula: C₅H₉N O₂
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

T_m: 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

pK_a: 1.95, 10.47

Tautomers:

Hydrogen bond: donor - 2; acceptor - 3

Pharmacological properties

This box:

Except where noted otherwise, data relate to Standard temperature and pressure.
Reliability of data general note.

References

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