| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 14 | Yes |
Popular Name: (1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide (1S,4S)-2-Benzyl-2,5-diazabicycl…
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CAS Numbers: 116258-17-4 , 1217827-86-5 , 127641-07-0 , [116258-17-4]
(1S,4S)-(+)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrobromide
(1S,4S)-2-Benzyl-2,5-diazabicyclo(2.2.1)heptane dihydrobromide
(1S,4S)-2-Benzyl-2,5-diazabicyclo-(2 .2.1)heptane dihydrobromide
(1S,4S)-2-Benzyl-2,5-diazabicyclo-[2.2.1]heptane dihydrobromide
(1S,4S)-2-Benzyl-2,5-Diazabicyclo[2.2.1]heptane
(1S,4S)-2-Benzyl-2,5-diazabicyclo[2.2.1]heptane dihydrochloride
(1S,4S)-2-benzyl-2,5-diazabicyclo[2.2.1]heptane-2HCl
2,5-Diazabicyclo[2.2.1]heptane, 2-(phenylmethyl)-, (1S,4S)- (9CI)
2,5-Diazabicyclo[2.2.1]heptane,2-(phenylmethyl)-,(1S,4S)-(9CI)
BENZYLDIAZABICYCLOHEPTANEDIHYDROBROMID
£¨1S,4S£©-2-Benzyl-2,5-diazabicyclo[2.2.1] heptane dihydrobromides
| 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) | 1.49 | 3.33 | -42.34 | 2 | 2 | 1 | 20 | 189.282 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.60 | 10.61 | -19.82 | 1 | 10 | 0 | 116 | 529.597 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 270°(dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_PATENT_ID | WO1999064417A2 | IBM Patent Data |
