| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 14 | Yes |
Popular Name: 3-amino-3-(2,4-dimethylphenyl)propanoic acid 3-amino-3-(2,4-dimethylphenyl)pr…
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CAS Numbers: 117391-54-5 , [117391-54-5]
3-(2,4-dimethylphenyl)-beta-alanine
3-Amino-3-(2,4-dimethyl-phenyl)-propionic acid
3-Amino-3-(2,4-dimethylphenyl)propanoicacid
| 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) | -0.23 | 4.3 | -40.41 | 3 | 3 | 0 | 68 | 193.246 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
