| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 19th, 2010 | 13 | Yes |
Popular Name: 2-((1S)-1-AMINO-2-METHYLPROPYL)BENZENECARBONITRILE-HCl 2-((1S)-1-AMINO-2-METHYLPROPYL)B…
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CAS Number: 1213222-15-1
(S)-2-(1-Amino-2-methylpropyl)benzonitrile hydrochloride
2-((1s)-1-amino-2-methylpropyl)benzenecarbonitrile hydrochloride
| 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) | 0.26 | 4.43 | -49.09 | 3 | 2 | 1 | 51 | 175.255 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.26 | 4.15 | -5.44 | 2 | 2 | 0 | 50 | 174.247 | 2 | ↓ |
