| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 8th, 2004 | 11 | Yes |
Popular Name: 3-(Cyclohexylamino)propionitrile 3-(Cyclohexylamino)propionitrile
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CAS Numbers: 702-03-4 , [702-03-4]
3-(cyclohexylamino)propanenitrile
3-Cyclohexylaminopropiononitrile
| 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) | 1.46 | 5.18 | -53.32 | 2 | 2 | 1 | 40 | 153.249 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.46 | 3.9 | -5.83 | 1 | 2 | 0 | 36 | 152.241 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 122-124° | Fluorochem |
| BP | 122-124°/4mm | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Warnings | IRRITANT, IRRITANT-HARMFUL | Matrix Scientific |
| Warnings | Irritant/Irritant-Harmful | Matrix Scientific |
| melting_point | Oil | KeyOrganics |
