| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 12 | Yes |
Popular Name: 6-amino-2H-1,4-benzoxazin-3(4H)-one 6-amino-2H-1,4-benzoxazin-3(4H)-one
Find On: PubMed — Wikipedia — Google
CAS Numbers: 89976-75-0 , [89976-75-0]
"6-Amino-2H-1,4-benzoxazin-3(4H)-one, 95%"
2H-1,4-benzoxazin-3(4H)-one, 6-amino-
6-amino-2,4-dihydro-1,4-benzoxazin-3-one
| 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) | 0.04 | -0.4 | -7.2 | 3 | 4 | 0 | 64 | 164.164 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 215 - 217 | Enamine Building Blocks |
| MP | 215...217 | Enamine Building Blocks |
| melting_point | 266 - 268 | KeyOrganics |
| MP | 266-268° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0414112A2; EP0414112B1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
