Obsolete: CHA
Summary
| Name: | 1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANE |
| Formula: | C9 H19 N O |
| Formal charge: | 0 |
| Formula weight: | 157.253 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-amino-3-cyclohexylpropan-1-ol |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-cyclohexyl-propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(N)CC1CCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@H](CO)CC1CCCCC1 |
| SMILES | CACTVS | 3.341 | N[CH](CO)CC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)C[C@@H](CO)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(CC1)CC(CO)N |
| InChI | InChI | 1.03 | InChI=1S/C9H19NO/c10-9(7-11)6-8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/t9-/m0/s1 |
| InChIKey | InChI | 1.03 | QWDRYURVUDZKSG-VIFPVBQESA-N |
