| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 28th, 2009 | 12 | Yes |
Popular Name: 5-Amino-1-(tert-butyl)-1H-pyrrole-3-carbonitrile 5-Amino-1-(tert-butyl)-1H-pyrrol…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 269726-49-0 , [269726-49-0]
1-tert-Butyl-5-amino-1h-pyrrole-3-carbonitrile
| 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) | 1.40 | 5.24 | -7.11 | 2 | 3 | 0 | 55 | 163.224 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 105 - 107 | Enamine Building Blocks |
| MP | 105...107 | Enamine Building Blocks |
| melting_point | 115 - 117 | KeyOrganics |
| MP | 115-117° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO2000029411A1 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.