Q6M
7-[(3-aminopropyl)amino]heptane-2,2-diol
| Created: | 2019-09-25 |
| Last modified: | 2019-12-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 38 |
| Chiral Atom Count | 0 |
| Bond Count | 37 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 7-[(3-aminopropyl)amino]heptane-2,2-diol |
| Systematic Name (OpenEye OEToolkits) | 7-(3-azanylpropylamino)heptane-2,2-diol |
| Formula | C10 H24 N2 O2 |
| Molecular Weight | 204.31 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NCCCCCC(C)(O)O)CCN |
| SMILES | CACTVS | 3.385 | CC(O)(O)CCCCCNCCCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCCCCNCCCN)(O)O |
| Canonical SMILES | CACTVS | 3.385 | CC(O)(O)CCCCCNCCCN |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCCCCNCCCN)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3 |
| InChIKey | InChI | 1.03 | VZPARMKCSXRGQB-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 145704710 |














