| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2008 | 14 | Yes |
Popular Name: (3-{[methyl(propan-2-yl)amino]methyl}phenyl)methanamine hydrochloride (3-{[methyl(propan-2-yl)amino]me…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1209940-31-7 , 926237-91-4
| 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) | 1.57 | 5.55 | -96.4 | 4 | 2 | 2 | 32 | 194.322 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.57 | 5.16 | -31.66 | 3 | 2 | 1 | 30 | 193.314 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
