| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 13 | Yes |
Popular Name: 3-amino-3-(3-bromophenyl)propanoic acid 3-amino-3-(3-bromophenyl)propano…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 117391-50-1 , 275826-35-2 , [117391-50-1]
(S)-3-(3-bromophenyl)-beta-alanine
(S)-3-(3-bromophenyl)-β-alanine
(S)-3-Amino-3-(3-bromo-phenyl)-propionic acid
(S)-3-Amino-3-(3-bromophenyl)propanoic acid
(S)-beta-(3-bromophenyl)alanine
3-(3-bromophenyl)-beta-alanine
3-Amino-3-(3-bromo-phenyl)-propionic acid
3-amino-3-(3-bromophenyl)propanoicacid
3-Amino-3-(3-bromphenyl)-propionsäure
3-amino-3-(3-chlorophenyl)propanoic acid
DL-3-Amino-3-(3-Bromo-phenyl)-propionic 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) | -0.27 | 3.72 | -42.99 | 3 | 3 | 0 | 68 | 244.088 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.84 | 8.4 | -17.88 | 1 | 7 | 0 | 76 | 398.507 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 213 - 215 (dec) | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Warnings | IRRITANT | Matrix Scientific |
