Showing Metabocard for N-carbamoylputrescine (BASm0003368)
| Common Name | N-carbamoylputrescine |
|---|---|
| Description | N-Carbamoylputrescine is found in cereals and cereal products. N-Carbamoylputrescine is an alkaloid from Hordeum vulgare (barley) and Sesamum indicum (sesame). |
| Structure | |
| Molecular Formula | C5H13N3O |
| Average Mass | 131.17620 |
| Monoisotopic Mass | 131.10586 |
| IUPAC Name | N-(4-aminobutyl)carbamimidic acid |
| Traditional Name | N-carbamoylputrescine |
| CAS Registry Number | 6851-51-0 |
| SMILES | NC(=O)NCCCC[NH3+] |
| InChI Identifier | InChI=1S/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9) |
| InChI Key | YANFYYGANIYHGI-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:58318 |
| HMDB ID | HMDB0033458 |
| State | Not Available |
| Water Solubility | 3.57e+00 g/l |
| logP | -0.94 |
| logS | -1.57 |
| pKa (Strongest Acidic) | 8.76 |
| pKa (Strongest Basic) | 10.32 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 4 |
| Polar Surface Area | 82.13 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 2 |
| Formal Charge | 0 |
| Refractivity | 46.44 m³·mol⁻¹ |
| Polarizability | 14.59 |