| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 16th, 2010 | 11 | Yes |
Popular Name: (S)-1-(4-chloro-3-fluorophenyl)ethanamine hydrochloride (S)-1-(4-chloro-3-fluorophenyl)e…
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CAS Numbers: 1114559-11-3 , 1245808-01-8 , 1253790-80-5 , 787633-87-8 , [1245808-01-8]
(1R)-1-(4-Chloro-3-fluorophenyl)ethylamine hydrochloride
(r)-1-(4-chloro-3-fluorophenyl)ethanaminehydrochloride
(R)-4-Chloro-3-fluoro-alpha-methylbenzylamine hydrochloride
(S)-1-(4-Chloro-3-fluorophenyl)ethanamine
(S)-1-(4-Chloro-3-fluorophenyl)ethanamine HCl
(s)-1-(4-chloro-3-fluorophenyl)ethanaminehydrochloride
(S)-1-(4-chloro-3-fluorophenyl)ethanaminium chloride
| 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) | 0.57 | 3.82 | -51.01 | 3 | 1 | 1 | 28 | 174.626 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 3.52 | -2.68 | 2 | 1 | 0 | 26 | 173.618 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.78 | 4.36 | -4.19 | 0 | 1 | 0 | 13 | 204.042 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.