| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 11 | No |
Popular Name: N'-hydroxy-3-methylbenzenecarboximidamide N'-hydroxy-3-methylbenzenecarbox…
Find On: PubMed — Wikipedia — Google
CAS Number: 40067-82-1
Benzenecarboximidamide, N-hydroxy-3-methyl- (9CI)
| 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) | 0.80 | 1.88 | -28.97 | 4 | 3 | 1 | 58 | 151.189 | 2 | ↓ |
| Ref Reference (pH 7) | 0.68 | 2.05 | -6.36 | 3 | 3 | 0 | 59 | 150.181 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.81 | 2.91 | -17.26 | 3 | 3 | 0 | 61 | 150.181 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.68 | 1.88 | -29.06 | 4 | 3 | 1 | 60 | 151.189 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 87-90? | Alfa-Aesar |
| MP | 87-90° | Matrix Scientific |
| Purity | 97% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
