| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2010 | 10 | Yes |
Popular Name: MFCD21606053 MFCD21606053
Find On: PubMed — Wikipedia — Google
CAS Numbers: 85817-22-7 , 859213-28-8
1-Methyl-piperazine-2-carboxylic acid amide
1-Methyl-piperazine-2-carboxylic acid amide dihydrochloride
| 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) | -1.08 | -3.33 | -48.05 | 4 | 4 | 1 | 63 | 144.198 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.08 | -4.72 | -7.65 | 3 | 4 | 0 | 58 | 143.19 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.08 | -1.11 | -114.69 | 5 | 4 | 2 | 64 | 145.206 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.08 | -2.46 | -32.23 | 4 | 4 | 1 | 60 | 144.198 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
