| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 9th, 2010 | 11 | Yes |
Popular Name: N-(3-Aminopropyl)diethanolamine N-(3-Aminopropyl)diethanolamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4985-85-7 , [4985-85-7]
2,2'-[(3-aminopropyl)imino]diethanol
2-[(3-Amino-propyl)-(2-hydroxy-ethyl)-amino]-ethan
2-[(3-Amino-propyl)-(2-hydroxy-ethyl)-amino]-ethanol
2-[(3-Aminopropyl)-(2-hydroxyethyl)amino]-ethanol
AMINOPROPYLHYDROXYETHYLAMINOETHANO
| 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) | -1.85 | -5.79 | -44 | 5 | 4 | 1 | 71 | 163.241 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 4.66 | -106.9 | 7 | 9 | 2 | 150 | 416.489 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 158°/2 Torr | Matrix Scientific |
| BP | 207 | TCI |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.