AG3
Summary
| Name: | 1-{4-[(3-aminopropyl)amino]butyl}guanidine |
| Synonyms: | N1-aminopropylagmatine |
| Formula: | C8 H21 N5 |
| Formal charge: | 0 |
| Formula weight: | 187.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-{4-[(3-aminopropyl)amino]butyl}guanidine |
| OpenEye OEToolkits | 1.5.0 | 1-[4-(3-aminopropylamino)butyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(N)NCCCCNCCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCCNCCCCNC(N)=N |
| SMILES | CACTVS | 3.341 | NCCCNCCCCNC(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/N)\NCCCCNCCCN |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)NCCCCNCCCN |
| InChI | InChI | 1.03 | InChI=1S/C8H21N5/c9-4-3-6-12-5-1-2-7-13-8(10)11/h12H,1-7,9H2,(H4,10,11,13) |
| InChIKey | InChI | 1.03 | XYCUJKFFVBCJEF-UHFFFAOYSA-N |
