UXB
Summary
| Name: | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol |
| Formula: | C9 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 185.651 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-amino-3-(3-chlorophenyl)propan-1-ol |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-azanyl-3-(3-chlorophenyl)propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCO)c1cc(Cl)ccc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H12ClNO/c10-8-3-1-2-7(6-8)9(11)4-5-12/h1-3,6,9,12H,4-5,11H2/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | YQMOQQKIRFWPQL-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](CCO)c1cccc(Cl)c1 |
| SMILES | CACTVS | 3.385 | N[CH](CCO)c1cccc(Cl)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)[C@H](CCO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)Cl)C(CCO)N |
