Mol Weight - 133.19
Smiles - CCOC(CN)OCC
| Property Name | Property Value |
| Mol Name | Aminoacetaldehyde Diethyl Acetal |
| Molweight | 133.19 |
| Monoisotopic Mass | 133.110279 |
| Clogp | -0.3133 |
| Clogs | -0.716 |
| H Acceptors | 3 |
| H Donors | 1 |
| Total Surface Area | 120.32 |
| Relative Psa | 0.29313 |
| Polar Surface Area | 44.48 |
| Druglikeness | -12.863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Shape Index | 0.77778 |
| Molecular Flexibility | 0.54638 |
| Molecular Complexity | 0.51986 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 5 |
| Sp3 Atoms | 9 |
| Symmetric Atoms | 3 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CCOC(CN)OCC |
| InChIKey | InChI=1S/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3 |
| InChI | HJKLEAOXCZIMPI-UHFFFAOYSA-N |
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1 — Aminoacetaldehyde Diethyl Acetal | 2 — Aminoacetaldehyde Diethyl Acetal