In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 31st, 2008 | 13 | Yes |
Popular Name: 3-N-Boc-(S)-amino butyronitrile 3-N-Boc-(S)-amino butyronitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 172695-22-6 , 194156-55-3
(S)-tert-Butyl (1-cyanopropan-2-yl)carbamate
Carbamic acid, (2-cyano-1-methylethyl)-, 1,1-dimethylethyl ester (9CI)
Carbamic acid, [(1S)-2-cyano-1-methylethyl]-, 1,1-dimethylethyl ester (9CI)
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) | 2.72 | 3.37 | -12.54 | 1 | 4 | 0 | 62 | 184.239 | 4 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | US5637613 | IBM Patent Data |