98B
Summary
| Name: | (1S)-1-phenylethanamine |
| Formula: | C8 H11 N |
| Formal charge: | 0 |
| Formula weight: | 121.18 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S)-1-phenylethanamine |
| OpenEye OEToolkits | 1.9.2 | (1S)-1-phenylethanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(C)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | RQEUFEKYXDPUSK-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)c1ccccc1 |
| SMILES | CACTVS | 3.385 | C[CH](N)c1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H](c1ccccc1)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(c1ccccc1)N |
