MD2
Summary
| Name: | N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE |
| Synonyms: | MDL72527 |
| Formula: | C12 H20 N2 |
| Formal charge: | 0 |
| Formula weight: | 192.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N,N'-dibuta-2,3-dien-1-ylbutane-1,4-diamine |
| OpenEye OEToolkits | 1.5.0 | N,N'-di(buta-2,3-dienyl)butane-1,4-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | C(=C\CNCCCCNC/C=C=C)=C |
| SMILES_CANONICAL | CACTVS | 3.341 | [CH2]=[C]=[CH]CNCCCCNC[CH]=[C]=[CH2] |
| SMILES | CACTVS | 3.341 | [CH2]=[C]=[CH]CNCCCCNC[CH]=[C]=[CH2] |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C=C=CCNCCCCNCC=C=C |
| SMILES | OpenEye OEToolkits | 1.5.0 | C=C=CCNCCCCNCC=C=C |
| InChI | InChI | 1.03 | InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2 |
| InChIKey | InChI | 1.03 | IKSQCMLJDHRWOA-UHFFFAOYSA-N |
