In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 30th, 2008 | 13 | Yes |
Popular Name: (S,S)-3-Isobutyl-1,4-diazabicyclo[4.3.0]nonane, 97% (S,S)-3-Isobutyl-1,4-diazabicycl…
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CAS Numbers: 1072102-31-8 , 718631-71-1
(3S,6S)-3-Isobutyl-1,4-diazabicyclo[4.3.0]nonane
(3S,8aR)-3-isobutyloctahydropyrrolo[1,2-a]pyrazine
(S,S)-3-Isobutyl-1,4-diazabicyclo[4.3.0]nonane
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) | 2.02 | 4.14 | -36.01 | 2 | 2 | 1 | 20 | 183.319 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 6.1 | -108.69 | 3 | 2 | 2 | 21 | 184.327 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.02 | 4.86 | -28.38 | 2 | 2 | 1 | 16 | 183.319 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
Boiling_Point | 90-95?/2mm | Alfa-Aesar |
Boiling_Point | 90-95°/2mm | Alfa-Aesar |