1JZ
Summary
| Name: | 1-[4-(hydroxymethyl)phenyl]guanidine |
| Formula: | C8 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 165.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1-[4-(hydroxymethyl)phenyl]guanidine |
| OpenEye OEToolkits | 1.5.0 | 1-[4-(hydroxymethyl)phenyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | [N@H]=C(Nc1ccc(cc1)CO)N |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=N)Nc1ccc(CO)cc1 |
| SMILES | CACTVS | 3.341 | NC(=N)Nc1ccc(CO)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(\N)/Nc1ccc(cc1)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(N)Nc1ccc(cc1)CO |
| InChI | InChI | 1.03 | InChI=1S/C8H11N3O/c9-8(10)11-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2,(H4,9,10,11) |
| InChIKey | InChI | 1.03 | JAFHTIHHRCEJDS-UHFFFAOYSA-N |
