In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2005 | 17 | Yes |
Popular Name: 3-(cyclopentyloxy)-4-methoxybenzoic acid 3-(cyclopentyloxy)-4-methoxybenz…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 144036-17-9 , [144036-17-9]
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) | 2.89 | 0.9 | -50.65 | 0 | 4 | -1 | 58 | 235.259 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 161 - 163 | Enamine Building Blocks |
MP | 161...163 | Enamine Building Blocks |
MP | 162 - 164 | Enamine Building Blocks |
Mp [°C] | 164 - 166 | Acros Organics |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
H phrase | H319: Causes serious eye irritation | Acros Organics |
H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | 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 |
S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
Hazard | XI: Irritant | Acros Organics |