PG3
Summary
| Name: | GUANIDINE-3-PROPANOL |
| Formula: | C4 H12 N3 O |
| Formal charge: | 1 |
| Formula weight: | 118.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | amino[(3-hydroxypropyl)amino]methaniminium |
| OpenEye OEToolkits | 1.5.0 | [amino-(3-hydroxypropylamino)methylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCCCNC(=[NH2+])\N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=[NH2+])NCCCO |
| SMILES | CACTVS | 3.341 | NC(=[NH2+])NCCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNC(=[NH2+])N)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CNC(=[NH2+])N)CO |
| InChI | InChI | 1.03 | InChI=1S/C4H11N3O/c5-4(6)7-2-1-3-8/h8H,1-3H2,(H4,5,6,7)/p+1 |
| InChIKey | InChI | 1.03 | JDXXTKLHHZMVIO-UHFFFAOYSA-O |
