Physicochemical Properties
| Molecular Formula | C5H11N3O2 |
| Molecular Weight | 145.15974 |
| Exact Mass | 145.085 |
| CAS # | 463-00-3 |
| PubChem CID | 500 |
| Appearance | White to off-white solid powder |
| Density | 1.37g/cm3 |
| Boiling Point | 377ºC at 760mmHg |
| Melting Point | 280-282ºC (dec.) |
| Flash Point | 181.8ºC |
| Vapour Pressure | 3.86E-05mmHg at 25°C |
| Index of Refraction | 1.561 |
| LogP | 0.525 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 10 |
| Complexity | 140 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | TUHVEAJXIMEOSA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) |
| Chemical Name | 4-(diaminomethylideneamino)butanoic acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Additional Infomation |
4-guanidinobutanoic acid is the 4-guanidino derivative of butanoic acid. It has a role as a fungal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is functionally related to a butyric acid. It is a conjugate acid of a 4-guanidinobutanoate. It is a tautomer of a 4-guanidinobutanoic acid zwitterion. 4-Guanidinobutyrate has been reported in Citrus reticulata, Drosophila melanogaster, and other organisms with data available. See also: Arctium lappa Root (part of). |
Solubility Data
| Solubility (In Vitro) | H2O : ~25 mg/mL (~172.22 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 16.67 mg/mL (114.84 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 6.8890 mL | 34.4448 mL | 68.8895 mL | |
| 5 mM | 1.3778 mL | 6.8890 mL | 13.7779 mL | |
| 10 mM | 0.6889 mL | 3.4445 mL | 6.8890 mL |