| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 14th, 2008 | 12 | Yes |
Popular Name: N-Phenylurethane N-Phenylurethane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101-99-5 , [101-99-5]
| 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) | 2.25 | 3.63 | -6.52 | 1 | 3 | 0 | 38 | 165.192 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 152°/14mm | Matrix Scientific |
| BP | 237 | TCI |
| Boiling_Point | 237? | Alfa-Aesar |
| Boiling_Point | 237° | Alfa-Aesar |
| Melting_Point | 49-51? | Alfa-Aesar |
| Melting_Point | 49-51° | Alfa-Aesar |
| MP | 52 | TCI |
| MP | 53° | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0863877A1; EP0887341A1; EP0921122A1; US6110967; WO1997016428A1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.