| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 15 | Yes |
Popular Name: 3-Amino-3-(4-isopropylphenyl)propionic acid 3-Amino-3-(4-isopropylphenyl)pro…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 117391-53-4 , 1196690-98-8 , [117391-53-4]
3-Amino-3-(4-isopropyl-phenyl)-propanoic acid
3-Amino-3-(4-isopropylphenyl)-propionicacid
3-amino-3-(4-isopropylphenyl)propanoic acid
3-amino-3-[4-(propan-2-yl)phenyl]propanoic acid
| 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) | 0.46 | 5.05 | -40.16 | 3 | 3 | 0 | 68 | 207.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.68 | 10.62 | -42.44 | 2 | 9 | 1 | 80 | 447.567 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 234 - 236 | Enamine Building Blocks |
| MP | 234...236 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
