2UC
Summary
| Name: | 1-[3-(2-oxoethyl)benzyl]guanidine |
| Formula: | C10 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 191.23 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(2-oxoethyl)benzyl]guanidine |
| OpenEye OEToolkits | 1.7.6 | 1-[[3-(2-oxidanylideneethyl)phenyl]methyl]guanidine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCc1cccc(c1)CNC(=[N@H])N |
| InChI | InChI | 1.03 | InChI=1S/C10H13N3O/c11-10(12)13-7-9-3-1-2-8(6-9)4-5-14/h1-3,5-6H,4,7H2,(H4,11,12,13) |
| InChIKey | InChI | 1.03 | ROVJVJPDBIXZTC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCc1cccc(CC=O)c1 |
| SMILES | CACTVS | 3.385 | NC(=N)NCc1cccc(CC=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\N)/NCc1cccc(c1)CC=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)CNC(=N)N)CC=O |
