3-Amino-2-fluoropropionic acid - CAS 3821-81-6
Catalog: |
BB023585 |
Product Name: |
3-Amino-2-fluoropropionic acid |
CAS: |
3821-81-6 |
Synonyms: |
3-amino-2-fluoropropanoic acid |
IUPAC Name: | 3-amino-2-fluoropropanoic acid |
Description: | 3-Amino-2-fluoropropionic acid (CAS# 3821-81-6) is a compound useful in organic synthesis. |
Molecular Weight: | 107.08 |
Molecular Formula: | C3H6FNO2 |
Canonical SMILES: | C(C(C(=O)O)F)N |
InChI: | InChI=1S/C3H6FNO2/c4-2(1-5)3(6)7/h2H,1,5H2,(H,6,7) |
InChI Key: | OJQNRNQELNLWHH-UHFFFAOYSA-N |
Boiling Point: | 264.5 ℃ at 760 mmHg |
Density: | 1.302 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00041324 |
LogP: | 0.06810 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
22384273 | 20120101 | γ-Aminobutyric acid transporter 2 mediates the hepatic uptake of guanidinoacetate, the creatine biosynthetic precursor, in rats | PloS one |
23118530 | 20120101 | The use of capecitabine in daily practice: a study on adherence and patients' experiences | Patient preference and adherence |
21450537 | 20110415 | The achievement of mass balance by simultaneous quantification of floxuridine prodrug, floxuridine, 5-fluorouracil, 5-dihydrouracil, α-fluoro-β-ureidopropionate, α-fluoro-β-alanine using LC-MS | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
21378348 | 20110201 | A phase I study evaluating the effect of CDHP as a component of S-1 on the pharmacokinetics of 5-fluorouracil | Anticancer research |
20207593 | 20101001 | Biological monitoring of occupational exposure to 5-fluorouracil: urinary α-fluoro-β-alanine assay by high performance liquid chromatography tandem mass spectrometry in health care personnel | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences |
Complexity: | 75.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 107.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 107.03825660 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -3 |
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