| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 9 | Yes |
Popular Name: Propylbenzene Propylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: (η5-2,4-Cyclopentadien-1-yl)[(1,2,3-η)-1-phenyl-2-propenyl]-palladium , 103-65-1 , 105333-10-6 , 1678-92-8
1-Phenylpropane; 1-Propylbenzene; Isocumene; PROPYLBENZENE; Phenylpropane; n-Propylbenzene
1-Phenylpropane;1-Propylbenzene;Isocumene;n-Propylbenzene;Phenylpropane
| 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) | 3.24 | 6.7 | -1.6 | 0 | 0 | 0 | 0 | 120.195 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 100? | Alfa-Aesar |
| Melting_Point | 100° | Alfa-Aesar |
| Mp [°C] | 99 | Acros Organics |
| BP [°C] | 158 | Acros Organics |
| BP | 159 | TCI |
| Boiling_Point | 159-160? | Alfa-Aesar |
| Boiling_Point | 159-160° | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| H phrase | H304: May be fatal if swallowed and enters airways | Acros Organics |
| H phrase | H304: May be fatal if swallowed and enters airways; H335: May cause respiratory irritation; H411: Toxic to aquatic life with long lasting effects; H226: Flammable liquid and vapor | 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; P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting; P273: Avoid release to the environment; P210: Keep away from heat/sparks/open flames/hot s | Acros Organics |
| UniProt Database Links | PAL1_ARATH; PAL1_DAUCA; PAL1_IPOBA; PAL1_LITER; PAL1_ORYSJ; PAL1_PEA; PAL1_PETCR; PAL1_PHAVU; PAL1_POPKI; PAL1_PRUAV; PAL1_RUBID; PAL1_SOLLC; PAL1_SOLTU; PAL1_SOYBN; PAL1_TOBAC; PAL2_ARATH; PAL2_CICAR; PAL2_IPOBA; PAL2_LITER; PAL2_ORYSI; PAL2_ORYSJ; PAL2_ | ChEBI |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R37: Irritating to respiratory system.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.; R65: Harmful: may cause lung damage if swallowed. | Acros Organics |
| S phrase | S24: Avoid contact with skin. | Acros Organics |
| S phrase | S24: Avoid contact with skin.; S37: Wear suitable gloves.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets.; S62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or la | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.