A1AIV
Summary
| Name: | 4-aminobutanenitrile |
| Formula: | C4 H8 N2 |
| Formal charge: | 0 |
| Formula weight: | 84.12 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-aminobutanenitrile |
| OpenEye OEToolkits | 2.0.7 | 4-azanylbutanenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#CCCCN |
| InChI | InChI | 1.06 | InChI=1S/C4H8N2/c5-3-1-2-4-6/h1-3,5H2 |
| InChIKey | InChI | 1.06 | XGYKKVTZDQDYJQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCCC#N |
| SMILES | CACTVS | 3.385 | NCCCC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC#N)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC#N)CN |
