| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2008 | 15 | Yes |
Popular Name: methyl 4-pyrrolidin-1-ylbenzoate methyl 4-pyrrolidin-1-ylbenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 129414-26-2 , [129414-26-2]
1-[4-(Methoxycarbonyl)phenyl]pyrrolidine
methyl 4-(1-pyrrolidinyl)benzenecarboxylate
Methyl 4-(pyrrolidin-1-yl)benzoate
methyl-4-PYRROLIDIN-1-YLBENZOATE
| 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) | 2.61 | 0.08 | -5.04 | 0 | 3 | 0 | 30 | 205.257 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 140 - 142 | KeyOrganics |
| MP | 140-142° | Matrix Scientific |
| Mp [°C] | 141 - 143 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H315: Causes skin irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H319: Causes serious eye irritation; H335: May cause respiratory 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 | S22: Do not breathe dust. | Acros Organics |
| S phrase | 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 eye/face protection. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
