| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 17th, 2005 | 18 | Yes |
Popular Name: Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine Benzo[1,3]dioxol-5-ylmethyl-pyri…
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CAS Numbers: 1185298-32-1 , 353779-52-9 , [1185298-32-1] , [353779-52-9]
(1,3-benzodioxol-5-ylmethyl)(4-pyridinylmethyl)amine dihydrobromide
(1,3-benzodioxol-5-ylmethyl)(pyridin-4-ylmethyl)amine
1-(Benzo[d][1,3]dioxol-5-yl)-N-(pyridin-4-ylmethyl)methanamine
BENZODIOXOLYLMETHYLPYRIDINYLMETHYLAMIN
BENZODIOXOLYLMETHYLPYRIDINYLMETHYLAMINEHYDROBROMID
Benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-amine hydrobromide
benzo[1,3]dioxol-5-ylmethyl-pyridin-4-ylmethyl-aminehydrobromide
| 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) | 1.50 | 5.17 | -56.24 | 2 | 4 | 1 | 48 | 243.286 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.50 | 5.45 | -113.43 | 3 | 4 | 2 | 49 | 244.294 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.