CH4
Summary
| Name: | 3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL |
| Formula: | C8 H20 N4 O |
| Formal charge: | 0 |
| Formula weight: | 188.271 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal |
| OpenEye OEToolkits | 1.5.0 | 3-(2-aminoethylamino)-2-[(2-aminoethylamino)methyl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=CC(CNCCN)CNCCN |
| SMILES_CANONICAL | CACTVS | 3.341 | NCCNCC(CNCCN)C=O |
| SMILES | CACTVS | 3.341 | NCCNCC(CNCCN)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CNCC(CNCCN)C=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CNCC(CNCCN)C=O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H20N4O/c9-1-3-11-5-8(7-13)6-12-4-2-10/h7-8,11-12H,1-6,9-10H2 |
| InChIKey | InChI | 1.03 | BIJUMIIQWOKWMO-UHFFFAOYSA-N |
