381
Summary
| Name: | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid |
| Synonyms: | CGP 46381 |
| Formula: | C10 H22 N O2 P |
| Formal charge: | 0 |
| Formula weight: | 219.261 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (S)-(3-aminopropyl)(cyclohexylmethyl)phosphinic acid |
| OpenEye OEToolkits | 1.7.6 | 3-azanylpropyl(cyclohexylmethyl)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(CC1CCCCC1)CCCN |
| InChI | InChI | 1.03 | InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13) |
| InChIKey | InChI | 1.03 | XOESDNIUAWGCLU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCC[P](O)(=O)CC1CCCCC1 |
| SMILES | CACTVS | 3.385 | NCCC[P](O)(=O)CC1CCCCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CP(=O)(CCCN)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(CC1)CP(=O)(CCCN)O |
