| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2008 | 12 | Yes |
Popular Name: 2-(dimethylamino)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile 2-(dimethylamino)-2-(1-methyl-1H…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 117068-07-2 , [117068-07-2]
(dimethylamino)(1-methyl-1H-pyrrol-2-yl)acetonitrile
2-(Dimethylamino)-2-(1-methyl-1H-pyrrol-2-yl)-acetonitrile
| 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) | 0.93 | 3.58 | -5.78 | 0 | 3 | 0 | 32 | 163.224 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 110°/5mm | Matrix Scientific |
| melting_point | 39 - 41 | KeyOrganics |
| MP | 39-41° | Matrix Scientific |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.