| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3T5SW0FIL7 |
| EPA CompTox | DTXSID3059399 |
Structure
| InChI Key | MXJYVLYENVWKQX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H14N2 |
| Molecular Weight | 102.12 |
| AlogP | -0.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 24.06 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111-37-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3T5SW0FIL7 |
| PubChem | 67104 |
| ChemSpider | 60452.0 |
CONTENTS
