Showing Metabocard for 4-aminobutanal (BASm0003328)
| Common Name | 4-aminobutanal |
|---|---|
| Description | 4-Aminobutyraldehyde is a metabolite of putrescine. It is a substrate of human liver aldehyde dehydrogenase (EC 1.2.1.3) cytoplasmic (E1) and mitochondrial (E2) isozymes (PMID 3324802 ). |
| Structure | |
| Molecular Formula | C4H9NO |
| Average Mass | 87.12040 |
| Monoisotopic Mass | 87.06841 |
| IUPAC Name | 4-aminobutanal |
| Traditional Name | 4-aminobutanal |
| CAS Registry Number | 4390-05-0 |
| SMILES | [NH3+]CCCC=O |
| InChI Identifier | InChI=1S/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2 |
| InChI Key | DZQLQEYLEYWJIB-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:58264 |
| HMDB ID | HMDB0001080 |
| State | Solid |
| Water Solubility | 2.59e+02 g/l |
| logP | -0.73 |
| logS | 0.47 |
| pKa (Strongest Acidic) | 14.83 |
| pKa (Strongest Basic) | 9.79 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 1 |
| Polar Surface Area | 43.09 Ų |
| Rotatable Bond Count | 3 |
| Physiological Charge | 1 |
| Formal Charge | 0 |
| Refractivity | 24.53 m³·mol⁻¹ |
| Polarizability | 9.72 |