| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2008 | 9 | Yes |
Popular Name: 3-[(2-Methoxyethyl)amino]propanenitrile 3-[(2-Methoxyethyl)amino]propane…
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CAS Numbers: 1385694-39-2 , 35855-66-4
3-[(2-methoxyethyl)amino]propanenitrile oxalate
METHOXYETHYLAMINOPROPANENITRIL
propanenitrile, 3-[(2-methoxyethyl)amino]-
propanenitrile, 3-[(2-methoxyethyl)amino]-, ethanedioate (1:1)
| 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) | -0.81 | 1.87 | -50.23 | 2 | 3 | 1 | 50 | 129.183 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.81 | 0.46 | -6.35 | 1 | 3 | 0 | 45 | 128.175 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Warnings | IRRITANT | Matrix Scientific |
