| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 13th, 2008 | 11 | Yes |
Popular Name: (S)-1-(4-cyanophenyl)ethanamine (S)-1-(4-cyanophenyl)ethanamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101219-71-0 , 1177316-44-7 , 210488-53-2 , 36244-70-9 , 86225-78-7 , 911372-80-0 , [36244-70-9] , [86225-78-7]
(r)-4-(1-aminoethyl)benzonitrile
(S)-1-(4-Isocyanophenyl)ethanol
(S)-4-(1-Aminoethyl)benzonitrile
(S)-4-(1-AMINOETHYL)BENZONITRILE HCL
(S)-4-(1-Aminoethyl)benzonitrile hydrochloride
(S)-4-(1-aminoethyl)benzonitrile-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) | -0.44 | 3.59 | -54.8 | 3 | 2 | 1 | 51 | 147.201 | 1 | ↓ |
| Hi High (pH 8-9.5) | -0.44 | 3.27 | -5.19 | 2 | 2 | 0 | 50 | 146.193 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 224 - 226 | Enamine Building Blocks |
| MP | 224...226 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | US6166028 | IBM Patent Data |
