3-Aminopropylphosphonic acid - CAS 13138-33-5
Catalog: |
BB007309 |
Product Name: |
3-Aminopropylphosphonic acid |
CAS: |
13138-33-5 |
Synonyms: |
3-aminopropylphosphonic acid |
IUPAC Name: | 3-aminopropylphosphonic acid |
Description: | 3-Aminopropylphosphonic acid (3-APPA) is a phosphonic analog of GABA that acts as a partial agonist of GABAB receptors (IC50 = 1.5 μM in a radioligand binding assay). |
Molecular Weight: | 139.09 |
Molecular Formula: | C3H10NO3P |
Canonical SMILES: | C(CN)CP(=O)(O)O |
InChI: | InChI=1S/C3H10NO3P/c4-2-1-3-8(5,6)7/h1-4H2,(H2,5,6,7) |
InChI Key: | GSZQTIFGANBTNF-UHFFFAOYSA-N |
Boiling Point: | 343 °C at 760 mmHg |
Melting Point: | 290-294 °C |
Purity: | ≥ 98 % |
Density: | 1.378 g/cm3 |
Appearance: | White powder or crystals |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD00008222 |
LogP: | 0.21320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
23019493 | 20120919 | Differentiating enantioselective actions of GABOB: a possible role for threonine 244 in the binding site of GABA(C) ρ(1) receptors | ACS chemical neuroscience |
23056305 | 20120101 | Catabolism and detoxification of 1-aminoalkylphosphonic acids: N-acetylation by the phnO gene product | PloS one |
21485190 | 20110201 | [Study on immobilization of heparin on surface of Ti-O films and its antithrombogenicity] | Sheng wu yi xue gong cheng xue za zhi = Journal of biomedical engineering = Shengwu yixue gongchengxue zazhi |
19904821 | 20100201 | Synthesis and characterization of functionalized magnetic maghemite nanoparticles with fluorescent probe capabilities for biological applications | Journal of biomedical materials research. Part B, Applied biomaterials |
19417132 | 20090515 | A novel technology for the imaging of acidic prostate tumors by positron emission tomography | Cancer research |
Complexity: | 98.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.03983018 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.03983018 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -4.5 |
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