| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 10 | Yes |
Popular Name: 3-Phenylpropylamine 3-Phenylpropylamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2038-57-5 , 30684-05-0 , 64-04-0 , [2038-57-5]
| 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) | 1.44 | 4.09 | -43.04 | 3 | 1 | 1 | 28 | 136.218 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 60? | Alfa-Aesar |
| Melting_Point | 60° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 1.58e-02 g/l | DrugBank-experimental |
| Boiling_Point | 200-202? | Alfa-Aesar |
| Boiling_Point | 200-202° | Alfa-Aesar |
| BP | 220 | TCI |
| Boiling_Point | 220-221? | Alfa-Aesar |
| Boiling_Point | 220-221° | Alfa-Aesar |
| BP [°C] | 221 | Acros Organics |
| BP | 221° | Fluorochem |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | R34: Causes burns. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.