M3B
Summary
| Name: | (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine |
| Formula: | C8 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 190.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S})-~{N}'-(4-azanylbutyl)-~{N}"-(2-methoxyethyl)methanetriamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H22N4O/c1-13-7-6-12-8(10)11-5-3-2-4-9/h8,11-12H,2-7,9-10H2,1H3/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | HBYRDDGQNQMGCZ-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCN[C@@H](N)NCCCCN |
| SMILES | CACTVS | 3.385 | COCCN[CH](N)NCCCCN |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCN[C@@H](N)NCCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCCNC(N)NCCCCN |
