| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | Yes |
Popular Name: 4-(pyrrolidin-1-yl)benzoic acid 4-(pyrrolidin-1-yl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22090-27-3 , [22090-27-3]
4-(1-Pyrrolidinyl)benzenecarboxylic acid
4-(1-pyrrolidinyl)benzenecarboxylicacid
4-(1-pyrrolidinyl)benzoic acid
4-Pyrrolidin-1-yl-benzoic acid
| 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) | 2.35 | -1.47 | -48.51 | 0 | 3 | -1 | 43 | 190.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 230 | Acros Organics |
| melting_point | 270 (Dec) | KeyOrganics |
| MP | 270° (dec) | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation; H312: Harmful in contact with skin; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S6: Keep under ... (inert gas to be specified by the manufacturer). | Acros Organics |
| S phrase | S6: Keep under ... (inert gas to be specified by the manufacturer).; S22: Do not breathe dust.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and ey | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
