6-Aminonicotinic acid - CAS 3167-49-5
Catalog: |
BB021017 |
Product Name: |
6-Aminonicotinic acid |
CAS: |
3167-49-5 |
Synonyms: |
6-aminopyridine-3-carboxylic acid |
IUPAC Name: | 6-aminopyridine-3-carboxylic acid |
Description: | Antiproliferative. |
Molecular Weight: | 138.12 |
Molecular Formula: | C6H6N2O2 |
Canonical SMILES: | C1=CC(=NC=C1C(=O)O)N |
InChI: | InChI=1S/C6H6N2O2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H2,7,8)(H,9,10) |
InChI Key: | ZCIFWRHIEBXBOY-UHFFFAOYSA-N |
Boiling Point: | 373.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.417 g/cm3 |
MDL: | MFCD00006326 |
LogP: | 0.94320 |
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 |
Publication Number | Title | Priority Date |
CN-113429342-A | Synthesis method of pexidaltinib intermediate | 20210729 |
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PMID | Publication Date | Title | Journal |
15352007 | 20040801 | Enantioseparation of aromatic amino acids and amino acid esters by capillary electrophoresis with crown ether and prediction of enantiomer migration orders by a three-dimensional quantitative structure-property relationship/comparative field analysis model | Electrophoresis |
19420 | 19770901 | Metabolism of 6-aminonicotinic acid in Escherichia coli | Journal of bacteriology |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.042927438 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.042927438 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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