2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile
2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile
Also Known As: N-Benzyl-L-glucosaminsaeure-nitril|2-(benzylamino)-3,4,5,6-tetrahydroxy-hexanenitrile|2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile|2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile(non-preferred name)
CAS: 6329-49-3
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.12665 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 266.12665 |
| Monoisotopic Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 6329-49-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(C#N)C(C(C(CO)O)O)O |
| InChIKey | GAIBNWDSTFNIAW-UHFFFAOYSA-N |
Product Overview
2-(Benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile (CAS 6329-49-3), with molecular formula C13H18N2O4 and molecular weight 266.12665 g/mol. IUPAC: 2-(benzylamino)-3,4,5,6-tetrahydroxyhexanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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