2BW
Summary
| Name: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid |
| Synonyms: | CGP 35348 |
| Formula: | C8 H20 N O4 P |
| Formal charge: | 0 |
| Formula weight: | 225.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid |
| OpenEye OEToolkits | 1.7.6 | 3-azanylpropyl(diethoxymethyl)phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(CCCN)C(OCC)OCC |
| InChI | InChI | 1.03 | InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11) |
| InChIKey | InChI | 1.03 | QIIVUOWTHWIXFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(OCC)[P](O)(=O)CCCN |
| SMILES | CACTVS | 3.385 | CCOC(OCC)[P](O)(=O)CCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(OCC)P(=O)(CCCN)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(OCC)P(=O)(CCCN)O |
