| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2008 | 11 | Yes |
Popular Name: (s)-1-(3-chloro-4-fluorophenyl)ethanamine hydrochloride (s)-1-(3-chloro-4-fluorophenyl)e…
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CAS Numbers: 1012305-33-7 , 1021239-38-2 , N/A
(1R)-1-(3-Chloro-4-fluorophenyl)ethylamine hydrochloride
(r)-1-(3-chloro-4-fluorophenyl)ethanamine
(R)-3-Chloro-4-fluoro-alpha-methylbenzylamine hydrochloride
(S)-1-(3-CHLORO-4-FLUOROPHENYL)ETHANAMINE-HCl
| 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 | 3.76 | -50.87 | 3 | 1 | 1 | 28 | 174.626 | 1 | ↓ |
| Hi High (pH 8-9.5) | 0.57 | 3.44 | -3.43 | 2 | 1 | 0 | 26 | 173.618 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| PUBCHEM_PATENT_ID | US6166028; WO2000034237A2; WO2000034238A1; WO2000034258A2; WO2000034261A2; WO2000034268A1; WO2000034269A1 | IBM Patent Data |
