| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 20th, 2006 | 14 | Yes |
Popular Name: 3-Phenyl-L-Proline 3-Phenyl-L-Proline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118758-48-8 , 1426559-89-8 , 3005-68-3 , [118758-48-8]
(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid
(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid hydrochloride
(2S,3R)-3-Phenylpyrrolidine-2-carboxylic acid, 98%
3-PHENYLPYRROLIDINE-2-CARBOXYLICACID
3-Phenylpyrrolidine-2-carboxylic acid
3-phenylpyrrolidine-2-carboxylic acid hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.07 | 4.97 | -43.53 | 2 | 3 | 0 | 57 | 191.23 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.76 | 8.42 | -16.21 | 4 | 8 | 0 | 107 | 462.598 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 207 - 209 | Enamine Building Blocks |
| MP | 207...209 | Enamine Building Blocks |
| Mp [°C] | 234 - 236 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >97% | Matrix Scientific |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P304 + P312: IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell; P305 + P351 + P338: IF IN E | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| PUBCHEM_PATENT_ID | US5780454 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
