| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 12 | Yes |
Popular Name: 2-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylamine tetrahydrochloride 2-[4-(2-Amino-ethyl)-piperazin-1…
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CAS Numbers: 6531-38-0 , 852392-58-6
1,4-Piperazinediethanamine (9CI)
2-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylamine
2-[4-(2-Amino-ethyl)-piperazin-1-yl]-ethylaminetetrahydrochloride
AMINOETHYLPIPERAZINYLETHYLAMINETETRAHYDROCHLORID
| 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) | -2.16 | -3.99 | -92.9 | 6 | 4 | 2 | 62 | 174.292 | 4 | ↓ |
| Hi High (pH 8-9.5) | -2.16 | -4.38 | -43.21 | 5 | 4 | 1 | 60 | 173.284 | 4 | ↓ |
| Lo Low (pH 4.5-6) | -2.16 | -1.72 | -181.95 | 7 | 4 | 3 | 63 | 175.3 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | <300° | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
