| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 12 | No |
Popular Name: (S)-(-)-1-Phenylpropyl isocyanate, 95% (S)-(-)-1-Phenylpropyl isocyanat…
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CAS Numbers: 164033-11-8 , 164033-12-9
(R)-(+)-1-Phenylpropylisocyanate
(S)-(-)-1-Phenylpropyl isocyanate
| 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) | 2.53 | 0.93 | -3.03 | 0 | 2 | 0 | 29 | 161.204 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 105?/17mm | Alfa-Aesar |
| Boiling_Point | 105°/17mm | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0398749A2 | IBM Patent Data |
