| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2008 | 15 | No |
Popular Name: 1-(2,6-Difluorophenyl)Biguanide Hydrochloride 1-(2,6-Difluorophenyl)Biguanide …
Find On: PubMed — Wikipedia — Google
CAS Number: 242475-27-0
1-(2,6-Difluorophenyl)biguanidine hydrochloride 97%
1-carbamimidamido-N-(2,6-difluorophenyl)methanimidamide hydrochloride
{[(2,6-difluoroanilino)(imino)methyl]amino}methanimidamide hydrochloride
| 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) | 0.42 | 5.16 | -13.52 | 6 | 5 | 0 | 100 | 213.191 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 3.25 | -32.53 | 7 | 5 | 1 | 100 | 214.199 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 3.89 | -7.21 | 6 | 5 | 0 | 98 | 213.191 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.55 | 5.56 | -9.93 | 6 | 5 | 0 | 98 | 213.191 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 224 - 226 | Enamine Building Blocks |
| MP | 224...226 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US4183956; US4219567; US4283555 | IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.